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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C2=CC3=CC=CC=C3N=C2)N4CCC(CC4)C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=CC3=CC=CC=C3N=C2)N4CCC(CC4)C(=O)O)OCC

InChI

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