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

Systemtic Name: 1-[(3-ethoxy-4-methoxy-phenyl)-pyridin-2-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-ethoxy-4-methoxy-phenyl)-(2-pyridyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-ethoxy-4-methoxyphenyl)-(2-pyridinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-ethoxy-4-methoxyphenyl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-ethoxy-4-methoxy-phenyl)-(2-pyridyl)methyl]nipecotic 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)N3CCCC(C3)C(=O)O)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC=CC=N2)N3CCCC(C3)C(=O)O)OC

InChI

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