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

Systemtic Name: [4-butyl-5-oxidanylidene-1-phenyl-2-[4-(phenylcarbonyloxy)phenyl]pyrazol-3-yl]oxymethyl benzoate Openeye Name: [2-(4-benzoyloxyphenyl)-4-butyl-5-oxo-1-phenyl-pyrazol-3-yl]oxymethyl benzoate CAS Name: benzoic acid [2-(4-benzoyloxyphenyl)-4-butyl-5-oxo-1-phenyl-3-pyrazolyl]oxymethyl ester IUPAC Name: [2-(4-benzoyloxyphenyl)-4-butyl-5-oxo-1-phenylpyrazol-3-yl]oxymethyl benzoate Traditional Name: benzoic acid [2-(4-benzoyloxyphenyl)-4-butyl-5-keto-1-phenyl-3-pyrazolin-3-yl]oxymethyl ester Formula: C34H30N2O6 MolecularWeight: 562.6118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4)OCOC(=O)C5=CC=CC=C5

Isomeric SMILES

CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4)OCOC(=O)C5=CC=CC=C5

InChI

InChI=1S/C34H30N2O6/c1-2-3-19-30-31(37)35(27-17-11-6-12-18-27)36(32(30)40-24-41-33(38)25-13-7-4-8-14-25)28-20-22-29(23-21-28)42-34(39)26-15-9-5-10-16-26/h4-18,20-23H,2-3,19,24H2,1H3