(3,3-dimethyl-2-oxidanylidene-butyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 5-methyl-3-phenyl-isoxazole-4-carboxylate CAS Name: 5-methyl-3-phenyl-4-isoxazolecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate Traditional Name: 5-methyl-3-phenyl-isoxazole-4-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C17H19NO4 MolecularWeight: 301.33706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C17H19NO4/c1-11-14(16(20)21-10-13(19)17(2,3)4)15(18-22-11)12-8-6-5-7-9-12/h5-9H,10H2,1-4H3