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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(C2=NC=C(C=C2)C)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCOC1=CC=CC=C1C(C2=NC=C(C=C2)C)N3CCC(CC3)C(=O)O

InChI

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