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

Systemtic Name: 2-[(4-chlorophenyl)methyl]-1-oxidanylidene-3-quinolin-3-yl-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: 2-[(4-chlorophenyl)methyl]-1-oxo-3-(3-quinolyl)-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: 2-[(4-chlorophenyl)methyl]-1-oxo-3-(3-quinolinyl)-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: 2-[(4-chlorophenyl)methyl]-1-oxo-3-quinolin-3-yl-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: 2-(4-chlorobenzyl)-1-keto-3-(3-quinolyl)-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C26H19ClN2O3 MolecularWeight: 442.89366

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C=N2)C3C(C4=CC=CC=C4C(=O)N3CC5=CC=C(C=C5)Cl)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C=N2)C3C(C4=CC=CC=C4C(=O)N3CC5=CC=C(C=C5)Cl)C(=O)O

InChI

InChI=1S/C26H19ClN2O3/c27-19-11-9-16(10-12-19)15-29-24(18-13-17-5-1-4-8-22(17)28-14-18)23(26(31)32)20-6-2-3-7-21(20)25(29)30/h1-14,23-24H,15H2,(H,31,32)