N5-[2-(4-fluorophenyl)ethyl]-2-[2-[4-[2-[5-[2-(4-fluorophenyl)ethylcarbamoyl]-6-[(3,4,5-trimethoxyphenyl)methylcarbamoyl]-1,3-dihydroisoindol-2-yl]-2-oxidanylidene-ethyl]phenyl]ethanoyl]-N6-[(3,4,5-trimethoxyphenyl)methyl]-1,3-dihydroisoindole-5,6-dicarboxamide

Systemtic Name: N5-[2-(4-fluorophenyl)ethyl]-2-[2-[4-[2-[5-[2-(4-fluorophenyl)ethylcarbamoyl]-6-[(3,4,5-trimethoxyphenyl)methylcarbamoyl]-1,3-dihydroisoindol-2-yl]-2-oxidanylidene-ethyl]phenyl]ethanoyl]-N6-[(3,4,5-trimethoxyphenyl)methyl]-1,3-dihydroisoindole-5,6-dicarboxamide Openeye Name: N6-[2-(4-fluorophenyl)ethyl]-2-[2-[4-[2-[5-[2-(4-fluorophenyl)ethylcarbamoyl]-6-[(3,4,5-trimethoxyphenyl)methylcarbamoyl]isoindolin-2-yl]-2-oxo-ethyl]phenyl]acetyl]-N5-[(3,4,5-trimethoxyphenyl)methyl]isoindoline-5,6-dicarboxamide CAS Name: N5-[2-(4-fluorophenyl)ethyl]-2-[2-[4-[2-[5-[[2-(4-fluorophenyl)ethylamino]-oxomethyl]-6-[oxo-[(3,4,5-trimethoxyphenyl)methylamino]methyl]-1,3-dihydroisoindol-2-yl]-2-oxoethyl]phenyl]-1-oxoethyl]-N6-[(3,4,5-trimethoxyphenyl)methyl]-1,3-dihydroisoindole-5,6-dicarboxamide IUPAC Name: 5-N-[2-(4-fluorophenyl)ethyl]-2-[2-[4-[2-[5-[2-(4-fluorophenyl)ethylcarbamoyl]-6-[(3,4,5-trimethoxyphenyl)methylcarbamoyl]-1,3-dihydroisoindol-2-yl]-2-oxoethyl]phenyl]acetyl]-6-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3-dihydroisoindole-5,6-dicarboxamide Traditional Name: N'-[2-(4-fluorophenyl)ethyl]-2-[2-[4-[2-[5-[2-(4-fluorophenyl)ethylcarbamoyl]-6-[(3,4,5-trimethoxybenzyl)carbamoyl]isoindolin-2-yl]-2-keto-ethyl]phenyl]acetyl]-N-(3,4,5-trimethoxybenzyl)isoindoline-5,6-dicarboxamide Formula: C66H66F2N6O12 MolecularWeight: 1173.260046

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC(=O)C2=CC3=C(CN(C3)C(=O)CC4=CC=C(C=C4)CC(=O)N5CC6=C(C5)C=C(C(=C6)C(=O)NCCC7=CC=C(C=C7)F)C(=O)NCC8=CC(=C(C(=C8)OC)OC)OC)C=C2C(=O)NCCC9=CC=C(C=C9)F

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC(=O)C2=CC3=C(CN(C3)C(=O)CC4=CC=C(C=C4)CC(=O)N5CC6=C(C5)C=C(C(=C6)C(=O)NCCC7=CC=C(C=C7)F)C(=O)NCC8=CC(=C(C(=C8)OC)OC)OC)C=C2C(=O)NCCC9=CC=C(C=C9)F

InChI

InChI=1S/C66H66F2N6O12/c1-81-55-23-43(24-56(82-2)61(55)85-5)33-71-65(79)53-31-47-37-73(35-45(47)29-51(53)63(77)69-21-19-39-11-15-49(67)16-12-39)59(75)27-41-7-9-42(10-8-41)28-60(76)74-36-46-30-52(64(78)70-22-20-40-13-17-50(68)18-14-40)54(32-48(46)38-74)66(80)72-34-44-25-57(83-3)62(86-6)58(26-44)84-4/h7-18,23-26,29-32H,19-22,27-28,33-38H2,1-6H3,(H,69,77)(H,70,78)(H,71,79)(H,72,80)