[1-(4-acetyloxyphenyl)-4-butyl-5-oxidanylidene-2-phenyl-pyrazol-3-yl]oxymethyl 2,2-dimethylpropanoate

Systemtic Name: [1-(4-acetyloxyphenyl)-4-butyl-5-oxidanylidene-2-phenyl-pyrazol-3-yl]oxymethyl 2,2-dimethylpropanoate Openeye Name: [1-(4-acetoxyphenyl)-4-butyl-5-oxo-2-phenyl-pyrazol-3-yl]oxymethyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [1-(4-acetyloxyphenyl)-4-butyl-5-oxo-2-phenyl-3-pyrazolyl]oxymethyl ester IUPAC Name: [1-(4-acetyloxyphenyl)-4-butyl-5-oxo-2-phenylpyrazol-3-yl]oxymethyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [1-(4-acetoxyphenyl)-4-butyl-5-keto-2-phenyl-3-pyrazolin-3-yl]oxymethyl ester Formula: C27H32N2O6 MolecularWeight: 480.55278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N2O6/c1-6-7-13-23-24(31)28(21-14-16-22(17-15-21)35-19(2)30)29(20-11-9-8-10-12-20)25(23)33-18-34-26(32)27(3,4)5/h8-12,14-17H,6-7,13,18H2,1-5H3