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

Systemtic Name: 1-[(4-dimethylaminophenyl)-(3-methylpyridin-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-dimethylaminophenyl)-(3-methyl-2-pyridyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-dimethylaminophenyl)-(3-methyl-2-pyridinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-dimethylaminophenyl)-(3-methylpyridin-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-dimethylaminophenyl)-(3-methyl-2-pyridyl)methyl]nipecotic acid Formula: C21H27N3O2 MolecularWeight: 353.45798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O2/c1-15-6-4-12-22-19(15)20(16-8-10-18(11-9-16)23(2)3)24-13-5-7-17(14-24)21(25)26/h4,6,8-12,17,20H,5,7,13-14H2,1-3H3,(H,25,26)