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

Systemtic Name: 1-[(3,4-diethoxyphenyl)-quinolin-3-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3,4-diethoxyphenyl)-(3-quinolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3,4-diethoxyphenyl)-(3-quinolinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-diethoxyphenyl)-quinolin-3-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3,4-diethoxyphenyl)-(3-quinolyl)methyl]nipecotic acid Formula: C26H30N2O4 MolecularWeight: 434.5274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C2=CC3=CC=CC=C3N=C2)N4CCCC(C4)C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=CC3=CC=CC=C3N=C2)N4CCCC(C4)C(=O)O)OCC

InChI

InChI=1S/C26H30N2O4/c1-3-31-23-12-11-19(15-24(23)32-4-2)25(28-13-7-9-20(17-28)26(29)30)21-14-18-8-5-6-10-22(18)27-16-21/h5-6,8,10-12,14-16,20,25H,3-4,7,9,13,17H2,1-2H3,(H,29,30)