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

Systemtic Name: 6-bromanyl-2-[(3-carboxyphenyl)methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-2-[(3-carboxyphenyl)methyl]-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-2-[(3-carboxyphenyl)methyl]-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-2-[(3-carboxyphenyl)methyl]-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-bromo-2-(3-carboxybenzyl)-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C24H16BrNO5 MolecularWeight: 478.29154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H16BrNO5/c25-17-9-10-18-19(12-17)20(15-6-2-1-3-7-15)21(24(30)31)26(22(18)27)13-14-5-4-8-16(11-14)23(28)29/h1-12H,13H2,(H,28,29)(H,30,31)