(4-butyl-5-oxidanylidene-1,2-diphenyl-pyrazol-3-yl)oxymethyl 2,2-dimethylpropanoate

Systemtic Name: (4-butyl-5-oxidanylidene-1,2-diphenyl-pyrazol-3-yl)oxymethyl 2,2-dimethylpropanoate Openeye Name: (4-butyl-5-oxo-1,2-diphenyl-pyrazol-3-yl)oxymethyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid (4-butyl-5-oxo-1,2-diphenyl-3-pyrazolyl)oxymethyl ester IUPAC Name: (4-butyl-5-oxo-1,2-diphenylpyrazol-3-yl)oxymethyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid (4-butyl-5-keto-1,2-diphenyl-3-pyrazolin-3-yl)oxymethyl ester Formula: C25H30N2O4 MolecularWeight: 422.5167

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O4/c1-5-6-17-21-22(28)26(19-13-9-7-10-14-19)27(20-15-11-8-12-16-20)23(21)30-18-31-24(29)25(2,3)4/h7-16H,5-6,17-18H2,1-4H3