1-[4-[(6-bromanyl-3-ethanoyl-4-phenyl-1H-isoquinolin-2-yl)carbonyl]phenyl]carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[4-[(6-bromanyl-3-ethanoyl-4-phenyl-1H-isoquinolin-2-yl)carbonyl]phenyl]carbonylpiperidine-4-carboxylic acid Openeye Name: 1-[4-(3-acetyl-6-bromo-4-phenyl-1H-isoquinoline-2-carbonyl)benzoyl]piperidine-4-carboxylic acid CAS Name: 1-[[4-[(3-acetyl-6-bromo-4-phenyl-1H-isoquinolin-2-yl)-oxomethyl]phenyl]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4-(3-acetyl-6-bromo-4-phenyl-1H-isoquinoline-2-carbonyl)benzoyl]piperidine-4-carboxylic acid Traditional Name: 1-[4-(3-acetyl-6-bromo-4-phenyl-1H-isoquinoline-2-carbonyl)benzoyl]isonipecotic acid Formula: C31H27BrN2O5 MolecularWeight: 587.46048

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C2=C(CN1C(=O)C3=CC=C(C=C3)C(=O)N4CCC(CC4)C(=O)O)C=CC(=C2)Br)C5=CC=CC=C5

Isomeric SMILES

CC(=O)C1=C(C2=C(CN1C(=O)C3=CC=C(C=C3)C(=O)N4CCC(CC4)C(=O)O)C=CC(=C2)Br)C5=CC=CC=C5

InChI

InChI=1S/C31H27BrN2O5/c1-19(35)28-27(20-5-3-2-4-6-20)26-17-25(32)12-11-24(26)18-34(28)30(37)22-9-7-21(8-10-22)29(36)33-15-13-23(14-16-33)31(38)39/h2-12,17,23H,13-16,18H2,1H3,(H,38,39)