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

Systemtic Name: 1-[[4-(dimethylaminomethyl)phenyl]-pyridin-3-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[[4-(dimethylaminomethyl)phenyl]-(3-pyridyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[[4-(dimethylaminomethyl)phenyl]-(3-pyridinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[[4-(dimethylaminomethyl)phenyl]-pyridin-3-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[[4-(dimethylaminomethyl)phenyl]-(3-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=CN=CC=C2)N3CCC(CC3)C(=O)O

Isomeric SMILES

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

InChI

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