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

Systemtic Name: 1-[4-[(6-bromanyl-4-phenyl-3-propanoyl-1H-isoquinolin-2-yl)carbonyl]phenyl]carbonylpiperidine-4-carboxylic acid Openeye Name: 1-[4-(6-bromo-4-phenyl-3-propanoyl-1H-isoquinoline-2-carbonyl)benzoyl]piperidine-4-carboxylic acid CAS Name: 1-[[4-[[6-bromo-3-(1-oxopropyl)-4-phenyl-1H-isoquinolin-2-yl]-oxomethyl]phenyl]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4-(6-bromo-4-phenyl-3-propanoyl-1H-isoquinoline-2-carbonyl)benzoyl]piperidine-4-carboxylic acid Traditional Name: 1-[4-(6-bromo-4-phenyl-3-propionyl-1H-isoquinoline-2-carbonyl)benzoyl]isonipecotic acid Formula: C32H29BrN2O5 MolecularWeight: 601.48706

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=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

CCC(=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/C32H29BrN2O5/c1-2-27(36)29-28(20-6-4-3-5-7-20)26-18-25(33)13-12-24(26)19-35(29)31(38)22-10-8-21(9-11-22)30(37)34-16-14-23(15-17-34)32(39)40/h3-13,18,23H,2,14-17,19H2,1H3,(H,39,40)