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

Systemtic Name: 6-bromanyl-2-[[4-(4-carboxypiperidin-1-yl)carbonylphenyl]methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-2-[[4-(4-carboxypiperidine-1-carbonyl)phenyl]methyl]-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-2-[[4-[(4-carboxy-1-piperidinyl)-oxomethyl]phenyl]methyl]-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-2-[[4-(4-carboxypiperidine-1-carbonyl)phenyl]methyl]-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-bromo-2-[4-(4-carboxypiperidine-1-carbonyl)benzyl]-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C30H25BrN2O6 MolecularWeight: 589.4333

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=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

C1CN(CCC1C(=O)O)C(=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/C30H25BrN2O6/c31-22-10-11-23-24(16-22)25(19-4-2-1-3-5-19)26(30(38)39)33(28(23)35)17-18-6-8-20(9-7-18)27(34)32-14-12-21(13-15-32)29(36)37/h1-11,16,21H,12-15,17H2,(H,36,37)(H,38,39)