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

Systemtic Name: 1-[(3,4-diethoxyphenyl)-pyridin-3-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3,4-diethoxyphenyl)-(3-pyridyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3,4-diethoxyphenyl)-(3-pyridinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-diethoxyphenyl)-pyridin-3-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3,4-diethoxyphenyl)-(3-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=CN=CC=C2)N3CCCC(C3)C(=O)O)OCC

Isomeric SMILES

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

InChI

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