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

Systemtic Name: [4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl 2-(4-ethoxyphenyl)-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: [4-(2-oxopyrrolidin-1-yl)phenyl]methyl 2-(4-ethoxyphenyl)-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-(4-ethoxyphenyl)-1-oxo-4-isoquinolinecarboxylic acid [4-(2-oxo-1-pyrrolidinyl)phenyl]methyl ester IUPAC Name: [4-(2-oxopyrrolidin-1-yl)phenyl]methyl 2-(4-ethoxyphenyl)-1-oxoisoquinoline-4-carboxylate Traditional Name: 1-keto-2-p-phenetyl-isoquinoline-4-carboxylic acid [4-(2-ketopyrrolidino)benzyl] ester Formula: C29H26N2O5 MolecularWeight: 482.52714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)OCC4=CC=C(C=C4)N5CCCC5=O

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)OCC4=CC=C(C=C4)N5CCCC5=O

InChI

InChI=1S/C29H26N2O5/c1-2-35-23-15-13-22(14-16-23)31-18-26(24-6-3-4-7-25(24)28(31)33)29(34)36-19-20-9-11-21(12-10-20)30-17-5-8-27(30)32/h3-4,6-7,9-16,18H,2,5,8,17,19H2,1H3