2-[(4-carboxyphenyl)methyl]-6-chloranyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid

Systemtic Name: 2-[(4-carboxyphenyl)methyl]-6-chloranyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 2-[(4-carboxyphenyl)methyl]-6-chloro-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 2-[(4-carboxyphenyl)methyl]-6-chloro-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 2-[(4-carboxyphenyl)methyl]-6-chloro-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 2-(4-carboxybenzyl)-6-chloro-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C24H16ClNO5 MolecularWeight: 433.84054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H16ClNO5/c25-17-10-11-18-19(12-17)20(15-4-2-1-3-5-15)21(24(30)31)26(22(18)27)13-14-6-8-16(9-7-14)23(28)29/h1-12H,13H2,(H,28,29)(H,30,31)