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

Systemtic Name: 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-(2-methylphenyl)pyrazole-3-carboxylic acid Openeye Name: 1-[(3-ethylisoxazol-5-yl)methyl]-5-(o-tolyl)pyrazole-3-carboxylic acid CAS Name: 1-[(3-ethyl-5-isoxazolyl)methyl]-5-(2-methylphenyl)-3-pyrazolecarboxylic acid IUPAC Name: 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-(2-methylphenyl)pyrazole-3-carboxylic acid Traditional Name: 1-[(3-ethylisoxazol-5-yl)methyl]-5-(o-tolyl)pyrazole-3-carboxylic acid Formula: C17H17N3O3 MolecularWeight: 311.33518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NOC(=C1)CN2C(=CC(=N2)C(=O)O)C3=CC=CC=C3C

Isomeric SMILES

CCC1=NOC(=C1)CN2C(=CC(=N2)C(=O)O)C3=CC=CC=C3C

InChI

InChI=1S/C17H17N3O3/c1-3-12-8-13(23-19-12)10-20-16(9-15(18-20)17(21)22)14-7-5-4-6-11(14)2/h4-9H,3,10H2,1-2H3,(H,21,22)