(1-phenylpyrazol-4-yl)methyl 4-(4-methylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: (1-phenylpyrazol-4-yl)methyl 4-(4-methylphenyl)-4-oxidanylidene-butanoate Openeye Name: (1-phenylpyrazol-4-yl)methyl 4-oxo-4-(p-tolyl)butanoate CAS Name: 4-(4-methylphenyl)-4-oxobutanoic acid (1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (1-phenylpyrazol-4-yl)methyl 4-(4-methylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-(p-tolyl)butyric acid (1-phenylpyrazol-4-yl)methyl ester Formula: C21H20N2O3 MolecularWeight: 348.3951

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O3/c1-16-7-9-18(10-8-16)20(24)11-12-21(25)26-15-17-13-22-23(14-17)19-5-3-2-4-6-19/h2-10,13-14H,11-12,15H2,1H3