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

Systemtic Name: 1-[(3-ethoxy-4-methoxy-phenyl)-pyridin-2-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-ethoxy-4-methoxy-phenyl)-(2-pyridyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-ethoxy-4-methoxyphenyl)-(2-pyridinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-ethoxy-4-methoxyphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-ethoxy-4-methoxy-phenyl)-(2-pyridyl)methyl]isonipecotic acid Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=CC=CC=N2)N3CCC(CC3)C(=O)O)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC=CC=N2)N3CCC(CC3)C(=O)O)OC

InChI

InChI=1S/C21H26N2O4/c1-3-27-19-14-16(7-8-18(19)26-2)20(17-6-4-5-11-22-17)23-12-9-15(10-13-23)21(24)25/h4-8,11,14-15,20H,3,9-10,12-13H2,1-2H3,(H,24,25)