1-[[4-(dimethylaminomethyl)phenyl]-pyridin-2-yl-methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[[4-(dimethylaminomethyl)phenyl]-pyridin-2-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[[4-(dimethylaminomethyl)phenyl]-(2-pyridyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[[4-(dimethylaminomethyl)phenyl]-(2-pyridinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[[4-(dimethylaminomethyl)phenyl]-pyridin-2-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[[4-(dimethylaminomethyl)phenyl]-(2-pyridyl)methyl]isonipecotic acid Formula: C21H27N3O2 MolecularWeight: 353.45798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O2/c1-23(2)15-16-6-8-17(9-7-16)20(19-5-3-4-12-22-19)24-13-10-18(11-14-24)21(25)26/h3-9,12,18,20H,10-11,13-15H2,1-2H3,(H,25,26)