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

Systemtic Name: 6-bromanyl-2-[[4-[(4-carboxyphenyl)carbonylamino]phenyl]methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-2-[[4-[(4-carboxybenzoyl)amino]phenyl]methyl]-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-2-[[4-[[(4-carboxyphenyl)-oxomethyl]amino]phenyl]methyl]-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-2-[[4-[(4-carboxybenzoyl)amino]phenyl]methyl]-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-bromo-2-[4-[(4-carboxybenzoyl)amino]benzyl]-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C31H21BrN2O6 MolecularWeight: 597.41224

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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=C(C=C4)NC(=O)C5=CC=C(C=C5)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=C(C=C4)NC(=O)C5=CC=C(C=C5)C(=O)O)C(=O)O

InChI

InChI=1S/C31H21BrN2O6/c32-22-12-15-24-25(16-22)26(19-4-2-1-3-5-19)27(31(39)40)34(29(24)36)17-18-6-13-23(14-7-18)33-28(35)20-8-10-21(11-9-20)30(37)38/h1-16H,17H2,(H,33,35)(H,37,38)(H,39,40)