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

Systemtic Name: 1-[(3-methylpyridin-4-yl)-pyridin-2-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-methyl-4-pyridyl)-(2-pyridyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-methyl-4-pyridinyl)-(2-pyridinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-methylpyridin-4-yl)-pyridin-2-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-methyl-4-pyridyl)-(2-pyridyl)methyl]isonipecotic acid Formula: C18H21N3O2 MolecularWeight: 311.37824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1)C(C2=CC=CC=N2)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=C(C=CN=C1)C(C2=CC=CC=N2)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C18H21N3O2/c1-13-12-19-9-5-15(13)17(16-4-2-3-8-20-16)21-10-6-14(7-11-21)18(22)23/h2-5,8-9,12,14,17H,6-7,10-11H2,1H3,(H,22,23)