1-[(2,5-dimethylphenyl)-pyridin-3-yl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2,5-dimethylphenyl)-pyridin-3-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2,5-dimethylphenyl)-(3-pyridyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2,5-dimethylphenyl)-(3-pyridinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2,5-dimethylphenyl)-pyridin-3-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2,5-dimethylphenyl)-(3-pyridyl)methyl]nipecotic acid Formula: C20H24N2O2 MolecularWeight: 324.41676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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