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

Systemtic Name: 1-[(5-ethylpyridin-2-yl)-(5-methylpyridin-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-ethyl-2-pyridyl)-(5-methyl-2-pyridyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-ethyl-2-pyridinyl)-(5-methyl-2-pyridinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-ethylpyridin-2-yl)-(5-methylpyridin-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-ethyl-2-pyridyl)-(5-methyl-2-pyridyl)methyl]isonipecotic acid Formula: C20H25N3O2 MolecularWeight: 339.4314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O2/c1-3-15-5-7-18(22-13-15)19(17-6-4-14(2)12-21-17)23-10-8-16(9-11-23)20(24)25/h4-7,12-13,16,19H,3,8-11H2,1-2H3,(H,24,25)