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

Systemtic Name: [1-(4-acetyloxyphenyl)-4-butyl-5-oxidanylidene-2-phenyl-pyrazol-3-yl] 2,2-dimethylpropanoate Openeye Name: [1-(4-acetoxyphenyl)-4-butyl-5-oxo-2-phenyl-pyrazol-3-yl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [1-(4-acetyloxyphenyl)-4-butyl-5-oxo-2-phenyl-3-pyrazolyl] ester IUPAC Name: [1-(4-acetyloxyphenyl)-4-butyl-5-oxo-2-phenylpyrazol-3-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [1-(4-acetoxyphenyl)-4-butyl-5-keto-2-phenyl-3-pyrazolin-3-yl] ester Formula: C26H30N2O5 MolecularWeight: 450.5268

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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)OC(=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)OC(=O)C(C)(C)C

InChI

InChI=1S/C26H30N2O5/c1-6-7-13-22-23(30)27(20-14-16-21(17-15-20)32-18(2)29)28(19-11-9-8-10-12-19)24(22)33-25(31)26(3,4)5/h8-12,14-17H,6-7,13H2,1-5H3