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

Systemtic Name: 6-bromanyl-2-[[4-[(4-carboxyphenyl)methylcarbamoyl]phenyl]methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-2-[[4-[(4-carboxyphenyl)methylcarbamoyl]phenyl]methyl]-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-2-[[4-[[(4-carboxyphenyl)methylamino]-oxomethyl]phenyl]methyl]-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-2-[[4-[(4-carboxyphenyl)methylcarbamoyl]phenyl]methyl]-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-bromo-2-[4-[(4-carboxybenzyl)carbamoyl]benzyl]-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C32H23BrN2O6 MolecularWeight: 611.43882

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)Br)CC4=CC=C(C=C4)C(=O)NCC5=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)C(=O)NCC5=CC=C(C=C5)C(=O)O)C(=O)O

InChI

InChI=1S/C32H23BrN2O6/c33-24-14-15-25-26(16-24)27(21-4-2-1-3-5-21)28(32(40)41)35(30(25)37)18-20-8-10-22(11-9-20)29(36)34-17-19-6-12-23(13-7-19)31(38)39/h1-16H,17-18H2,(H,34,36)(H,38,39)(H,40,41)