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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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