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

Systemtic Name: (4-butyl-5-oxidanylidene-1,2-diphenyl-pyrazol-3-yl)oxymethyl benzoate Openeye Name: (4-butyl-5-oxo-1,2-diphenyl-pyrazol-3-yl)oxymethyl benzoate CAS Name: benzoic acid (4-butyl-5-oxo-1,2-diphenyl-3-pyrazolyl)oxymethyl ester IUPAC Name: (4-butyl-5-oxo-1,2-diphenylpyrazol-3-yl)oxymethyl benzoate Traditional Name: benzoic acid (4-butyl-5-keto-1,2-diphenyl-3-pyrazolin-3-yl)oxymethyl ester Formula: C27H26N2O4 MolecularWeight: 442.50634

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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)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C27H26N2O4/c1-2-3-19-24-25(30)28(22-15-9-5-10-16-22)29(23-17-11-6-12-18-23)26(24)32-20-33-27(31)21-13-7-4-8-14-21/h4-18H,2-3,19-20H2,1H3