1-[(5-ethylpyridin-2-yl)-(3-methylphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(5-ethylpyridin-2-yl)-(3-methylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-ethyl-2-pyridyl)-(m-tolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-ethyl-2-pyridinyl)-(3-methylphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-ethylpyridin-2-yl)-(3-methylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-ethyl-2-pyridyl)-(m-tolyl)methyl]isonipecotic acid Formula: C21H26N2O2 MolecularWeight: 338.44334

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(C=C1)C(C2=CC=CC(=C2)C)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCC1=CN=C(C=C1)C(C2=CC=CC(=C2)C)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C21H26N2O2/c1-3-16-7-8-19(22-14-16)20(18-6-4-5-15(2)13-18)23-11-9-17(10-12-23)21(24)25/h4-8,13-14,17,20H,3,9-12H2,1-2H3,(H,24,25)