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

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 4-(4-chlorophenyl)-4-oxidanylidene-butanoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 4-(4-chlorophenyl)-4-oxo-butanoate CAS Name: 4-(4-chlorophenyl)-4-oxobutanoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 4-(4-chlorophenyl)-4-oxobutanoate Traditional Name: 4-(4-chlorophenyl)-4-keto-butyric acid (4-pyrazol-1-ylbenzyl) ester Formula: C20H17ClN2O3 MolecularWeight: 368.81358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)C2=CC=C(C=C2)COC(=O)CCC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CN(N=C1)C2=CC=C(C=C2)COC(=O)CCC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H17ClN2O3/c21-17-6-4-16(5-7-17)19(24)10-11-20(25)26-14-15-2-8-18(9-3-15)23-13-1-12-22-23/h1-9,12-13H,10-11,14H2