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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1)C(C2=CN=CC=C2)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=C(C=CN=C1)C(C2=CN=CC=C2)N3CCCC(C3)C(=O)O

InChI

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