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

Systemtic Name: 1-[1-(3-ethoxyphenyl)-2-pyridin-2-yl-ethyl]piperidine-4-carboxylic acid Openeye Name: 1-[1-(3-ethoxyphenyl)-2-(2-pyridyl)ethyl]piperidine-4-carboxylic acid CAS Name: 1-[1-(3-ethoxyphenyl)-2-(2-pyridinyl)ethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-(3-ethoxyphenyl)-2-pyridin-2-ylethyl]piperidine-4-carboxylic acid Traditional Name: 1-[1-m-phenetyl-2-(2-pyridyl)ethyl]isonipecotic acid Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(CC2=CC=CC=N2)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCOC1=CC=CC(=C1)C(CC2=CC=CC=N2)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C21H26N2O3/c1-2-26-19-8-5-6-17(14-19)20(15-18-7-3-4-11-22-18)23-12-9-16(10-13-23)21(24)25/h3-8,11,14,16,20H,2,9-10,12-13,15H2,1H3,(H,24,25)