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

Systemtic Name: 1-[(3-ethoxyphenyl)-(5-methylpyridin-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-ethoxyphenyl)-(5-methyl-2-pyridyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-ethoxyphenyl)-(5-methyl-2-pyridinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-ethoxyphenyl)-(5-methylpyridin-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-methyl-2-pyridyl)-m-phenetyl-methyl]isonipecotic acid Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(C2=NC=C(C=C2)C)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCOC1=CC=CC(=C1)C(C2=NC=C(C=C2)C)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C21H26N2O3/c1-3-26-18-6-4-5-17(13-18)20(19-8-7-15(2)14-22-19)23-11-9-16(10-12-23)21(24)25/h4-8,13-14,16,20H,3,9-12H2,1-2H3,(H,24,25)