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

Systemtic Name: 3-(2,4-dichlorophenyl)-1-oxidanylidene-2-[(3-phenylphenyl)methyl]-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: 3-(2,4-dichlorophenyl)-1-oxo-2-[(3-phenylphenyl)methyl]-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: 3-(2,4-dichlorophenyl)-1-oxo-2-[(3-phenylphenyl)methyl]-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: 3-(2,4-dichlorophenyl)-1-oxo-2-[(3-phenylphenyl)methyl]-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: 3-(2,4-dichlorophenyl)-1-keto-2-(3-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=C2)CN3C(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=C2)CN3C(C(C4=CC=CC=C4C3=O)C(=O)O)C5=C(C=C(C=C5)Cl)Cl

InChI

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