1-[[5-(2,4,6-trimethylphenyl)-1,2-oxazol-3-yl]carbonyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[[5-(2,4,6-trimethylphenyl)-1,2-oxazol-3-yl]carbonyl]piperidine-3-carboxylic acid Openeye Name: 1-[5-(2,4,6-trimethylphenyl)isoxazole-3-carbonyl]piperidine-3-carboxylic acid CAS Name: 1-[oxo-[5-(2,4,6-trimethylphenyl)-3-isoxazolyl]methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[5-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carbonyl]piperidine-3-carboxylic acid Traditional Name: 1-(5-mesitylisoxazole-3-carbonyl)nipecotic acid Formula: C19H22N2O4 MolecularWeight: 342.38898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=CC(=NO2)C(=O)N3CCCC(C3)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=CC(=NO2)C(=O)N3CCCC(C3)C(=O)O)C

InChI

InChI=1S/C19H22N2O4/c1-11-7-12(2)17(13(3)8-11)16-9-15(20-25-16)18(22)21-6-4-5-14(10-21)19(23)24/h7-9,14H,4-6,10H2,1-3H3,(H,23,24)