1H-pyrazol-5-yl 2-acetyloxy-4-butyl-5-oxidanylidene-1,2-diphenyl-cyclohex-3-ene-1-carboxylate

Systemtic Name: 1H-pyrazol-5-yl 2-acetyloxy-4-butyl-5-oxidanylidene-1,2-diphenyl-cyclohex-3-ene-1-carboxylate Openeye Name: 1H-pyrazol-5-yl 2-acetoxy-4-butyl-5-oxo-1,2-diphenyl-cyclohex-3-ene-1-carboxylate CAS Name: 2-acetyloxy-4-butyl-5-oxo-1,2-diphenyl-1-cyclohex-3-enecarboxylic acid 1H-pyrazol-5-yl ester IUPAC Name: 1H-pyrazol-5-yl 2-acetyloxy-4-butyl-5-oxo-1,2-diphenylcyclohex-3-ene-1-carboxylate Traditional Name: 2-acetoxy-4-butyl-5-keto-1,2-diphenyl-cyclohex-3-ene-1-carboxylic acid 1H-pyrazol-5-yl ester Formula: C28H28N2O5 MolecularWeight: 472.53232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(C(CC1=O)(C2=CC=CC=C2)C(=O)OC3=CC=NN3)(C4=CC=CC=C4)OC(=O)C

Isomeric SMILES

CCCCC1=CC(C(CC1=O)(C2=CC=CC=C2)C(=O)OC3=CC=NN3)(C4=CC=CC=C4)OC(=O)C

InChI

InChI=1S/C28H28N2O5/c1-3-4-11-21-18-28(35-20(2)31,23-14-9-6-10-15-23)27(19-24(21)32,22-12-7-5-8-13-22)26(33)34-25-16-17-29-30-25/h5-10,12-18H,3-4,11,19H2,1-2H3,(H,29,30)