1-[(2,4-dimethylphenyl)-pyridin-4-yl-methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2,4-dimethylphenyl)-pyridin-4-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2,4-dimethylphenyl)-(4-pyridyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2,4-dimethylphenyl)-pyridin-4-ylmethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2,4-dimethylphenyl)-pyridin-4-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2,4-dimethylphenyl)-(4-pyridyl)methyl]isonipecotic acid Formula: C20H24N2O2 MolecularWeight: 324.41676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O2/c1-14-3-4-18(15(2)13-14)19(16-5-9-21-10-6-16)22-11-7-17(8-12-22)20(23)24/h3-6,9-10,13,17,19H,7-8,11-12H2,1-2H3,(H,23,24)