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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(C2=CC3=CC=CC=C3N=C2)N4CCCC(C4)C(=O)O)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(C2=CC3=CC=CC=C3N=C2)N4CCCC(C4)C(=O)O)Br)OC

InChI

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