1-[(3,4-diethoxyphenyl)-(5-methylpyridin-2-yl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(3,4-diethoxyphenyl)-(5-methylpyridin-2-yl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(3,4-diethoxyphenyl)-(5-methyl-2-pyridyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3,4-diethoxyphenyl)-(5-methyl-2-pyridinyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-diethoxyphenyl)-(5-methylpyridin-2-yl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(3,4-diethoxyphenyl)-(5-methyl-2-pyridyl)methyl]pipecolinic acid Formula: C23H30N2O4 MolecularWeight: 398.4953

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C2=NC=C(C=C2)C)N3CCCCC3C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=NC=C(C=C2)C)N3CCCCC3C(=O)O)OCC

InChI

InChI=1S/C23H30N2O4/c1-4-28-20-12-10-17(14-21(20)29-5-2)22(18-11-9-16(3)15-24-18)25-13-7-6-8-19(25)23(26)27/h9-12,14-15,19,22H,4-8,13H2,1-3H3,(H,26,27)