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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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