methyl (E)-7-[4-(4-fluorophenyl)-1-oxidanylidene-2-propan-2-yl-isoquinolin-3-yl]-5-oxidanyl-3-oxidanylidene-hept-6-enoate

Systemtic Name: methyl (E)-7-[4-(4-fluorophenyl)-1-oxidanylidene-2-propan-2-yl-isoquinolin-3-yl]-5-oxidanyl-3-oxidanylidene-hept-6-enoate Openeye Name: methyl (E)-7-[4-(4-fluorophenyl)-2-isopropyl-1-oxo-3-isoquinolyl]-5-hydroxy-3-oxo-hept-6-enoate CAS Name: (E)-7-[4-(4-fluorophenyl)-1-oxo-2-propan-2-yl-3-isoquinolinyl]-5-hydroxy-3-oxo-6-heptenoic acid methyl ester IUPAC Name: methyl (E)-7-[4-(4-fluorophenyl)-1-oxo-2-propan-2-ylisoquinolin-3-yl]-5-hydroxy-3-oxohept-6-enoate Traditional Name: (E)-7-[4-(4-fluorophenyl)-2-isopropyl-1-keto-3-isoquinolyl]-5-hydroxy-3-keto-hept-6-enoic acid methyl ester Formula: C26H26FNO5 MolecularWeight: 451.486743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=C(C2=CC=CC=C2C1=O)C3=CC=C(C=C3)F)C=CC(CC(=O)CC(=O)OC)O

Isomeric SMILES

CC(C)N1C(=C(C2=CC=CC=C2C1=O)C3=CC=C(C=C3)F)/C=C/C(CC(=O)CC(=O)OC)O

InChI

InChI=1S/C26H26FNO5/c1-16(2)28-23(13-12-19(29)14-20(30)15-24(31)33-3)25(17-8-10-18(27)11-9-17)21-6-4-5-7-22(21)26(28)32/h4-13,16,19,29H,14-15H2,1-3H3/b13-12+