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

Systemtic Name: N5-[2-(4-fluorophenyl)ethyl]-2-[6-[[5-[2-(4-fluorophenyl)ethylcarbamoyl]-6-[(3,4,5-trimethoxyphenyl)methylcarbamoyl]-1,3-dihydroisoindol-2-yl]carbonyl]naphthalen-2-yl]carbonyl-N6-[(3,4,5-trimethoxyphenyl)methyl]-1,3-dihydroisoindole-5,6-dicarboxamide Openeye Name: N6-[2-(4-fluorophenyl)ethyl]-2-[6-[5-[2-(4-fluorophenyl)ethylcarbamoyl]-6-[(3,4,5-trimethoxyphenyl)methylcarbamoyl]isoindoline-2-carbonyl]naphthalene-2-carbonyl]-N5-[(3,4,5-trimethoxyphenyl)methyl]isoindoline-5,6-dicarboxamide CAS Name: N5-[2-(4-fluorophenyl)ethyl]-2-[[6-[[5-[[2-(4-fluorophenyl)ethylamino]-oxomethyl]-6-[oxo-[(3,4,5-trimethoxyphenyl)methylamino]methyl]-1,3-dihydroisoindol-2-yl]-oxomethyl]-2-naphthalenyl]-oxomethyl]-N6-[(3,4,5-trimethoxyphenyl)methyl]-1,3-dihydroisoindole-5,6-dicarboxamide IUPAC Name: 5-N-[2-(4-fluorophenyl)ethyl]-2-[6-[5-[2-(4-fluorophenyl)ethylcarbamoyl]-6-[(3,4,5-trimethoxyphenyl)methylcarbamoyl]-1,3-dihydroisoindole-2-carbonyl]naphthalene-2-carbonyl]-6-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3-dihydroisoindole-5,6-dicarboxamide Traditional Name: N'-[2-(4-fluorophenyl)ethyl]-2-[6-[5-[2-(4-fluorophenyl)ethylcarbamoyl]-6-[(3,4,5-trimethoxybenzyl)carbamoyl]isoindoline-2-carbonyl]-2-naphthoyl]-N-(3,4,5-trimethoxybenzyl)isoindoline-5,6-dicarboxamide Formula: C68H64F2N6O12 MolecularWeight: 1195.265566

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC(=O)C2=CC3=C(CN(C3)C(=O)C4=CC5=C(C=C4)C=C(C=C5)C(=O)N6CC7=C(C6)C=C(C(=C7)C(=O)NCCC8=CC=C(C=C8)F)C(=O)NCC9=CC(=C(C(=C9)OC)OC)OC)C=C2C(=O)NCCC1=CC=C(C=C1)F

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC(=O)C2=CC3=C(CN(C3)C(=O)C4=CC5=C(C=C4)C=C(C=C5)C(=O)N6CC7=C(C6)C=C(C(=C7)C(=O)NCCC8=CC=C(C=C8)F)C(=O)NCC9=CC(=C(C(=C9)OC)OC)OC)C=C2C(=O)NCCC1=CC=C(C=C1)F

InChI

InChI=1S/C68H64F2N6O12/c1-83-57-23-41(24-58(84-2)61(57)87-5)33-73-65(79)55-31-49-37-75(35-47(49)29-53(55)63(77)71-21-19-39-7-15-51(69)16-8-39)67(81)45-13-11-44-28-46(14-12-43(44)27-45)68(82)76-36-48-30-54(64(78)72-22-20-40-9-17-52(70)18-10-40)56(32-50(48)38-76)66(80)74-34-42-25-59(85-3)62(88-6)60(26-42)86-4/h7-18,23-32H,19-22,33-38H2,1-6H3,(H,71,77)(H,72,78)(H,73,79)(H,74,80)