3-(2,4-dichlorophenyl)-1-oxidanylidene-2-[(2-phenylphenyl)methyl]-3,4-dihydroisoquinoline-4-carboxylic acid

Systemtic Name: 3-(2,4-dichlorophenyl)-1-oxidanylidene-2-[(2-phenylphenyl)methyl]-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: 3-(2,4-dichlorophenyl)-1-oxo-2-[(2-phenylphenyl)methyl]-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: 3-(2,4-dichlorophenyl)-1-oxo-2-[(2-phenylphenyl)methyl]-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: 3-(2,4-dichlorophenyl)-1-oxo-2-[(2-phenylphenyl)methyl]-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: 3-(2,4-dichlorophenyl)-1-keto-2-(2-phenylbenzyl)-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C29H21Cl2NO3 MolecularWeight: 502.38794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=CC=C2CN3C(C(C4=CC=CC=C4C3=O)C(=O)O)C5=C(C=C(C=C5)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=CC=C2CN3C(C(C4=CC=CC=C4C3=O)C(=O)O)C5=C(C=C(C=C5)Cl)Cl

InChI

InChI=1S/C29H21Cl2NO3/c30-20-14-15-24(25(31)16-20)27-26(29(34)35)22-12-6-7-13-23(22)28(33)32(27)17-19-10-4-5-11-21(19)18-8-2-1-3-9-18/h1-16,26-27H,17H2,(H,34,35)