1-[1-(3,4-diethoxyphenyl)-2-pyridin-2-yl-ethyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[1-(3,4-diethoxyphenyl)-2-pyridin-2-yl-ethyl]piperidine-3-carboxylic acid Openeye Name: 1-[1-(3,4-diethoxyphenyl)-2-(2-pyridyl)ethyl]piperidine-3-carboxylic acid CAS Name: 1-[1-(3,4-diethoxyphenyl)-2-(2-pyridinyl)ethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-(3,4-diethoxyphenyl)-2-pyridin-2-ylethyl]piperidine-3-carboxylic acid Traditional Name: 1-[1-(3,4-diethoxyphenyl)-2-(2-pyridyl)ethyl]nipecotic acid Formula: C23H30N2O4 MolecularWeight: 398.4953

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(CC2=CC=CC=N2)N3CCCC(C3)C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(CC2=CC=CC=N2)N3CCCC(C3)C(=O)O)OCC

InChI

InChI=1S/C23H30N2O4/c1-3-28-21-11-10-17(14-22(21)29-4-2)20(15-19-9-5-6-12-24-19)25-13-7-8-18(16-25)23(26)27/h5-6,9-12,14,18,20H,3-4,7-8,13,15-16H2,1-2H3,(H,26,27)