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

Systemtic Name: 1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[[5-methyl-2-(m-tolyl)oxazol-4-yl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[[5-methyl-2-(3-methylphenyl)-4-oxazolyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[[5-methyl-2-(m-tolyl)oxazol-4-yl]methyl]isonipecotic acid Formula: C18H22N2O3 MolecularWeight: 314.37888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC(=C(O2)C)CN3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC(=C(O2)C)CN3CCC(CC3)C(=O)O

InChI

InChI=1S/C18H22N2O3/c1-12-4-3-5-15(10-12)17-19-16(13(2)23-17)11-20-8-6-14(7-9-20)18(21)22/h3-5,10,14H,6-9,11H2,1-2H3,(H,21,22)