1-[(2-bromanyl-4,5-dimethoxy-phenyl)-quinolin-3-yl-methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)-quinolin-3-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(3-quinolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(3-quinolinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-quinolin-3-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(3-quinolyl)methyl]isonipecotic acid Formula: C24H25BrN2O4 MolecularWeight: 485.3703

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(C2=CC3=CC=CC=C3N=C2)N4CCC(CC4)C(=O)O)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(C2=CC3=CC=CC=C3N=C2)N4CCC(CC4)C(=O)O)Br)OC

InChI

InChI=1S/C24H25BrN2O4/c1-30-21-12-18(19(25)13-22(21)31-2)23(27-9-7-15(8-10-27)24(28)29)17-11-16-5-3-4-6-20(16)26-14-17/h3-6,11-15,23H,7-10H2,1-2H3,(H,28,29)