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

Systemtic Name: 2-(4-chlorophenyl)-3-[(4-chlorophenyl)methyl]-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: 2-(4-chlorophenyl)-3-[(4-chlorophenyl)methyl]-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: 2-(4-chlorophenyl)-3-[(4-chlorophenyl)methyl]-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: 2-(4-chlorophenyl)-3-[(4-chlorophenyl)methyl]-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: 3-(4-chlorobenzyl)-2-(4-chlorophenyl)-1-keto-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C23H17Cl2NO3 MolecularWeight: 426.29198

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C(N(C2=O)C3=CC=C(C=C3)Cl)CC4=CC=C(C=C4)Cl)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(C(N(C2=O)C3=CC=C(C=C3)Cl)CC4=CC=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C23H17Cl2NO3/c24-15-7-5-14(6-8-15)13-20-21(23(28)29)18-3-1-2-4-19(18)22(27)26(20)17-11-9-16(25)10-12-17/h1-12,20-21H,13H2,(H,28,29)