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

Systemtic Name: [4-[5-(acetyloxymethoxy)-4-butyl-3-oxidanylidene-2-phenyl-pyrazol-1-yl]phenyl] benzoate Openeye Name: [4-[5-(acetoxymethoxy)-4-butyl-3-oxo-2-phenyl-pyrazol-1-yl]phenyl] benzoate CAS Name: benzoic acid [4-[5-(acetyloxymethoxy)-4-butyl-3-oxo-2-phenyl-1-pyrazolyl]phenyl] ester IUPAC Name: [4-[5-(acetyloxymethoxy)-4-butyl-3-oxo-2-phenylpyrazol-1-yl]phenyl] benzoate Traditional Name: benzoic acid [4-[5-(acetoxymethoxy)-4-butyl-3-keto-2-phenyl-3-pyrazolin-1-yl]phenyl] 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)C4=CC=CC=C4)OCOC(=O)C

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)C

InChI

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