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

Systemtic Name: 1-[(3,4-diethoxyphenyl)-pyridin-2-yl-methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(3,4-diethoxyphenyl)-(2-pyridyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3,4-diethoxyphenyl)-(2-pyridinyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-diethoxyphenyl)-pyridin-2-ylmethyl]piperidine-2-carboxylic acid Traditional Name: 1-[(3,4-diethoxyphenyl)-(2-pyridyl)methyl]pipecolinic 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)N3CCCCC3C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=CC=CC=N2)N3CCCCC3C(=O)O)OCC

InChI

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