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

Systemtic Name: [2-(4-acetyloxyphenyl)-4-butyl-5-oxidanylidene-1-phenyl-pyrazol-3-yl]oxymethyl benzoate Openeye Name: [2-(4-acetoxyphenyl)-4-butyl-5-oxo-1-phenyl-pyrazol-3-yl]oxymethyl benzoate CAS Name: benzoic acid [2-(4-acetyloxyphenyl)-4-butyl-5-oxo-1-phenyl-3-pyrazolyl]oxymethyl ester IUPAC Name: [2-(4-acetyloxyphenyl)-4-butyl-5-oxo-1-phenylpyrazol-3-yl]oxymethyl benzoate Traditional Name: benzoic acid [2-(4-acetoxyphenyl)-4-butyl-5-keto-1-phenyl-3-pyrazolin-3-yl]oxymethyl ester Formula: C29H28N2O6 MolecularWeight: 500.54242

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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)C)OCOC(=O)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C29H28N2O6/c1-3-4-15-26-27(33)30(23-13-9-6-10-14-23)31(24-16-18-25(19-17-24)37-21(2)32)28(26)35-20-36-29(34)22-11-7-5-8-12-22/h5-14,16-19H,3-4,15,20H2,1-2H3