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

Systemtic Name: 6-bromanyl-2-[[4-(4-ethoxycarbonylpiperidin-1-yl)carbonylphenyl]methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-2-[[4-(4-ethoxycarbonylpiperidine-1-carbonyl)phenyl]methyl]-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-2-[[4-[(4-ethoxycarbonyl-1-piperidinyl)-oxomethyl]phenyl]methyl]-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-2-[[4-(4-ethoxycarbonylpiperidine-1-carbonyl)phenyl]methyl]-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-bromo-2-[4-(4-carbethoxypiperidine-1-carbonyl)benzyl]-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C32H29BrN2O6 MolecularWeight: 617.48646

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)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

CCOC(=O)C1CCN(CC1)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/C32H29BrN2O6/c1-2-41-32(40)23-14-16-34(17-15-23)29(36)22-10-8-20(9-11-22)19-35-28(31(38)39)27(21-6-4-3-5-7-21)26-18-24(33)12-13-25(26)30(35)37/h3-13,18,23H,2,14-17,19H2,1H3,(H,38,39)