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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC(=C(O2)C)CN3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC(=C(O2)C)CN3CCCC(C3)C(=O)O

InChI

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