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

Systemtic Name: 3-(2,4-dichlorophenyl)-2-[(2-methylphenyl)methyl]-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: 3-(2,4-dichlorophenyl)-2-(o-tolylmethyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: 3-(2,4-dichlorophenyl)-2-[(2-methylphenyl)methyl]-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: 3-(2,4-dichlorophenyl)-2-[(2-methylphenyl)methyl]-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: 3-(2,4-dichlorophenyl)-1-keto-2-(2-methylbenzyl)-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C24H19Cl2NO3 MolecularWeight: 440.31856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C(C(C3=CC=CC=C3C2=O)C(=O)O)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CC1=CC=CC=C1CN2C(C(C3=CC=CC=C3C2=O)C(=O)O)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C24H19Cl2NO3/c1-14-6-2-3-7-15(14)13-27-22(19-11-10-16(25)12-20(19)26)21(24(29)30)17-8-4-5-9-18(17)23(27)28/h2-12,21-22H,13H2,1H3,(H,29,30)