1-[(2,5-dimethylphenyl)-pyridin-3-yl-methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2,5-dimethylphenyl)-pyridin-3-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2,5-dimethylphenyl)-(3-pyridyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2,5-dimethylphenyl)-(3-pyridinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2,5-dimethylphenyl)-pyridin-3-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2,5-dimethylphenyl)-(3-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)C(C2=CN=CC=C2)N3CCC(CC3)C(=O)O

Isomeric SMILES

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

InChI

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