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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC(=C(O2)C)CN3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=NC(=C(O2)C)CN3CCCC(C3)C(=O)O

InChI

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