[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl 2-(4-methoxyphenyl)-1-oxidanylidene-isoquinoline-4-carboxylate

Systemtic Name: [4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl 2-(4-methoxyphenyl)-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: [4-(2-oxopyrrolidin-1-yl)phenyl]methyl 2-(4-methoxyphenyl)-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-(4-methoxyphenyl)-1-oxo-4-isoquinolinecarboxylic acid [4-(2-oxo-1-pyrrolidinyl)phenyl]methyl ester IUPAC Name: [4-(2-oxopyrrolidin-1-yl)phenyl]methyl 2-(4-methoxyphenyl)-1-oxoisoquinoline-4-carboxylate Traditional Name: 1-keto-2-(4-methoxyphenyl)isoquinoline-4-carboxylic acid [4-(2-ketopyrrolidino)benzyl] ester Formula: C28H24N2O5 MolecularWeight: 468.50056

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)OCC4=CC=C(C=C4)N5CCCC5=O

Isomeric SMILES

COC1=CC=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)OCC4=CC=C(C=C4)N5CCCC5=O

InChI

InChI=1S/C28H24N2O5/c1-34-22-14-12-21(13-15-22)30-17-25(23-5-2-3-6-24(23)27(30)32)28(33)35-18-19-8-10-20(11-9-19)29-16-4-7-26(29)31/h2-3,5-6,8-15,17H,4,7,16,18H2,1H3