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

Systemtic Name: [1-(4-acetyloxyphenyl)-4-butyl-5-oxidanylidene-2-phenyl-pyrazol-3-yl]oxymethyl ethanoate Openeye Name: [1-(4-acetoxyphenyl)-4-butyl-5-oxo-2-phenyl-pyrazol-3-yl]oxymethyl acetate CAS Name: acetic 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 acetate Traditional Name: acetic acid [1-(4-acetoxyphenyl)-4-butyl-5-keto-2-phenyl-3-pyrazolin-3-yl]oxymethyl ester Formula: C24H26N2O6 MolecularWeight: 438.47304

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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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O6/c1-4-5-11-22-23(29)25(20-12-14-21(15-13-20)32-18(3)28)26(19-9-7-6-8-10-19)24(22)31-16-30-17(2)27/h6-10,12-15H,4-5,11,16H2,1-3H3