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

Systemtic Name: 1-[(3,4-diethoxyphenyl)-pyridin-2-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3,4-diethoxyphenyl)-(2-pyridyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3,4-diethoxyphenyl)-(2-pyridinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-diethoxyphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3,4-diethoxyphenyl)-(2-pyridyl)methyl]isonipecotic 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)N3CCC(CC3)C(=O)O)OCC

Isomeric SMILES

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

InChI

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