(5-phenyl-1,2-oxazol-3-yl)methyl 4-(3,4-dimethylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: (5-phenyl-1,2-oxazol-3-yl)methyl 4-(3,4-dimethylphenyl)-4-oxidanylidene-butanoate Openeye Name: (5-phenylisoxazol-3-yl)methyl 4-(3,4-dimethylphenyl)-4-oxo-butanoate CAS Name: 4-(3,4-dimethylphenyl)-4-oxobutanoic acid (5-phenyl-3-isoxazolyl)methyl ester IUPAC Name: (5-phenyl-1,2-oxazol-3-yl)methyl 4-(3,4-dimethylphenyl)-4-oxobutanoate Traditional Name: 4-(3,4-dimethylphenyl)-4-keto-butyric acid (5-phenylisoxazol-3-yl)methyl ester Formula: C22H21NO4 MolecularWeight: 363.40644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CCC(=O)OCC2=NOC(=C2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CCC(=O)OCC2=NOC(=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C22H21NO4/c1-15-8-9-18(12-16(15)2)20(24)10-11-22(25)26-14-19-13-21(27-23-19)17-6-4-3-5-7-17/h3-9,12-13H,10-11,14H2,1-2H3