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

Systemtic Name: 6-bromanyl-2-[[4-[(2-methoxycarbonylphenyl)carbamoyl]phenyl]methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-2-[[4-[(2-methoxycarbonylphenyl)carbamoyl]phenyl]methyl]-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-2-[[4-[(2-methoxycarbonylanilino)-oxomethyl]phenyl]methyl]-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-2-[[4-[(2-methoxycarbonylphenyl)carbamoyl]phenyl]methyl]-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-bromo-2-[4-[(2-carbomethoxyphenyl)carbamoyl]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=CC=C1NC(=O)C2=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=CC=C1NC(=O)C2=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)24-9-5-6-10-26(24)34-29(36)21-13-11-19(12-14-21)18-35-28(31(38)39)27(20-7-3-2-4-8-20)25-17-22(33)15-16-23(25)30(35)37/h2-17H,18H2,1H3,(H,34,36)(H,38,39)