1-[(3,4-diethoxyphenyl)-pyridin-2-yl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3,4-diethoxyphenyl)-pyridin-2-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3,4-diethoxyphenyl)-(2-pyridyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3,4-diethoxyphenyl)-(2-pyridinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-diethoxyphenyl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3,4-diethoxyphenyl)-(2-pyridyl)methyl]nipecotic acid Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4/c1-3-27-19-11-10-16(14-20(19)28-4-2)21(18-9-5-6-12-23-18)24-13-7-8-17(15-24)22(25)26/h5-6,9-12,14,17,21H,3-4,7-8,13,15H2,1-2H3,(H,25,26)