(4-pyrazol-1-ylphenyl)methyl 4-(4-methylphenyl)-4-oxidanylidene-butanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CCC(=O)OCC2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CCC(=O)OCC2=CC=C(C=C2)N3C=CC=N3

InChI

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