1-[(2,4-dimethoxyphenyl)-quinolin-2-yl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2,4-dimethoxyphenyl)-quinolin-2-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2,4-dimethoxyphenyl)-(2-quinolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2,4-dimethoxyphenyl)-(2-quinolinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2,4-dimethoxyphenyl)-quinolin-2-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2,4-dimethoxyphenyl)-(2-quinolyl)methyl]nipecotic acid Formula: C24H26N2O4 MolecularWeight: 406.47424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(C2=NC3=CC=CC=C3C=C2)N4CCCC(C4)C(=O)O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(C2=NC3=CC=CC=C3C=C2)N4CCCC(C4)C(=O)O)OC

InChI

InChI=1S/C24H26N2O4/c1-29-18-10-11-19(22(14-18)30-2)23(26-13-5-7-17(15-26)24(27)28)21-12-9-16-6-3-4-8-20(16)25-21/h3-4,6,8-12,14,17,23H,5,7,13,15H2,1-2H3,(H,27,28)