[4-[4-butyl-5-(2,2-dimethylpropanoyloxymethoxy)-3-oxidanylidene-2-phenyl-pyrazol-1-yl]phenyl] benzoate

Systemtic Name: [4-[4-butyl-5-(2,2-dimethylpropanoyloxymethoxy)-3-oxidanylidene-2-phenyl-pyrazol-1-yl]phenyl] benzoate Openeye Name: [4-[4-butyl-5-(2,2-dimethylpropanoyloxymethoxy)-3-oxo-2-phenyl-pyrazol-1-yl]phenyl] benzoate CAS Name: benzoic acid [4-[4-butyl-5-[(2,2-dimethyl-1-oxopropoxy)methoxy]-3-oxo-2-phenyl-1-pyrazolyl]phenyl] ester IUPAC Name: [4-[4-butyl-5-(2,2-dimethylpropanoyloxymethoxy)-3-oxo-2-phenylpyrazol-1-yl]phenyl] benzoate Traditional Name: benzoic acid [4-[4-butyl-3-keto-2-phenyl-5-(pivaloyloxymethoxy)-3-pyrazolin-1-yl]phenyl] ester Formula: C32H34N2O6 MolecularWeight: 542.62216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4)OCOC(=O)C(C)(C)C

Isomeric SMILES

CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4)OCOC(=O)C(C)(C)C

InChI

InChI=1S/C32H34N2O6/c1-5-6-17-27-28(35)33(24-15-11-8-12-16-24)34(29(27)38-22-39-31(37)32(2,3)4)25-18-20-26(21-19-25)40-30(36)23-13-9-7-10-14-23/h7-16,18-21H,5-6,17,22H2,1-4H3