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

Systemtic Name: 1-[(5-ethylpyridin-2-yl)-(5-methylpyridin-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-ethyl-2-pyridyl)-(5-methyl-2-pyridyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-ethyl-2-pyridinyl)-(5-methyl-2-pyridinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-ethylpyridin-2-yl)-(5-methylpyridin-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-ethyl-2-pyridyl)-(5-methyl-2-pyridyl)methyl]nipecotic 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)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCC1=CN=C(C=C1)C(C2=NC=C(C=C2)C)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C20H25N3O2/c1-3-15-7-9-18(22-12-15)19(17-8-6-14(2)11-21-17)23-10-4-5-16(13-23)20(24)25/h6-9,11-12,16,19H,3-5,10,13H2,1-2H3,(H,24,25)