1-[(3,5-dimethylphenyl)-pyridin-4-yl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3,5-dimethylphenyl)-pyridin-4-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3,5-dimethylphenyl)-(4-pyridyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3,5-dimethylphenyl)-pyridin-4-ylmethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3,5-dimethylphenyl)-pyridin-4-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3,5-dimethylphenyl)-(4-pyridyl)methyl]nipecotic acid Formula: C20H24N2O2 MolecularWeight: 324.41676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O2/c1-14-10-15(2)12-18(11-14)19(16-5-7-21-8-6-16)22-9-3-4-17(13-22)20(23)24/h5-8,10-12,17,19H,3-4,9,13H2,1-2H3,(H,23,24)