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

Systemtic Name: 6-bromanyl-2-[[4-[(4-methoxycarbonylphenyl)carbonylamino]phenyl]methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-2-[[4-[(4-methoxycarbonylbenzoyl)amino]phenyl]methyl]-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-2-[[4-[[(4-methoxycarbonylphenyl)-oxomethyl]amino]phenyl]methyl]-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-2-[[4-[(4-methoxycarbonylbenzoyl)amino]phenyl]methyl]-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-bromo-2-[4-[(4-carbomethoxybenzoyl)amino]benzyl]-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C32H23BrN2O6 MolecularWeight: 611.43882

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)CN3C(=C(C4=C(C3=O)C=CC(=C4)Br)C5=CC=CC=C5)C(=O)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)CN3C(=C(C4=C(C3=O)C=CC(=C4)Br)C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C32H23BrN2O6/c1-41-32(40)22-11-9-21(10-12-22)29(36)34-24-14-7-19(8-15-24)18-35-28(31(38)39)27(20-5-3-2-4-6-20)26-17-23(33)13-16-25(26)30(35)37/h2-17H,18H2,1H3,(H,34,36)(H,38,39)