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

Systemtic Name: 1-[(3,4-diethoxyphenyl)-quinolin-3-yl-methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(3,4-diethoxyphenyl)-(3-quinolyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3,4-diethoxyphenyl)-(3-quinolinyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-diethoxyphenyl)-quinolin-3-ylmethyl]piperidine-2-carboxylic acid Traditional Name: 1-[(3,4-diethoxyphenyl)-(3-quinolyl)methyl]pipecolinic 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)N4CCCCC4C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=CC3=CC=CC=C3N=C2)N4CCCCC4C(=O)O)OCC

InChI

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