1-[1-(3-ethoxy-4-methoxy-phenyl)-2-pyridin-2-yl-ethyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[1-(3-ethoxy-4-methoxy-phenyl)-2-pyridin-2-yl-ethyl]piperidine-3-carboxylic acid Openeye Name: 1-[1-(3-ethoxy-4-methoxy-phenyl)-2-(2-pyridyl)ethyl]piperidine-3-carboxylic acid CAS Name: 1-[1-(3-ethoxy-4-methoxyphenyl)-2-(2-pyridinyl)ethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-(3-ethoxy-4-methoxyphenyl)-2-pyridin-2-ylethyl]piperidine-3-carboxylic acid Traditional Name: 1-[1-(3-ethoxy-4-methoxy-phenyl)-2-(2-pyridyl)ethyl]nipecotic acid Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4/c1-3-28-21-13-16(9-10-20(21)27-2)19(14-18-8-4-5-11-23-18)24-12-6-7-17(15-24)22(25)26/h4-5,8-11,13,17,19H,3,6-7,12,14-15H2,1-2H3,(H,25,26)