2-[(4-chlorophenyl)methyl]-3-(1H-indol-3-yl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid

Systemtic Name: 2-[(4-chlorophenyl)methyl]-3-(1H-indol-3-yl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: 2-[(4-chlorophenyl)methyl]-3-(1H-indol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: 2-[(4-chlorophenyl)methyl]-3-(1H-indol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: 2-[(4-chlorophenyl)methyl]-3-(1H-indol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: 2-(4-chlorobenzyl)-3-(1H-indol-3-yl)-1-keto-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C25H19ClN2O3 MolecularWeight: 430.88296

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C(N(C2=O)CC3=CC=C(C=C3)Cl)C4=CNC5=CC=CC=C54)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(C(N(C2=O)CC3=CC=C(C=C3)Cl)C4=CNC5=CC=CC=C54)C(=O)O

InChI

InChI=1S/C25H19ClN2O3/c26-16-11-9-15(10-12-16)14-28-23(20-13-27-21-8-4-3-5-17(20)21)22(25(30)31)18-6-1-2-7-19(18)24(28)29/h1-13,22-23,27H,14H2,(H,30,31)