[4-[4-butyl-3-oxidanylidene-2-phenyl-5-[[(E)-3-phenylprop-2-enoyl]oxymethoxy]pyrazol-1-yl]phenyl] benzoate

Systemtic Name: [4-[4-butyl-3-oxidanylidene-2-phenyl-5-[[(E)-3-phenylprop-2-enoyl]oxymethoxy]pyrazol-1-yl]phenyl] benzoate Openeye Name: [4-[4-butyl-3-oxo-2-phenyl-5-[[(E)-3-phenylprop-2-enoyl]oxymethoxy]pyrazol-1-yl]phenyl] benzoate CAS Name: benzoic acid [4-[4-butyl-3-oxo-5-[[(E)-1-oxo-3-phenylprop-2-enoxy]methoxy]-2-phenyl-1-pyrazolyl]phenyl] ester IUPAC Name: [4-[4-butyl-3-oxo-2-phenyl-5-[[(E)-3-phenylprop-2-enoyl]oxymethoxy]pyrazol-1-yl]phenyl] benzoate Traditional Name: benzoic acid [4-[4-butyl-3-keto-2-phenyl-5-[[(E)-3-phenylacryloyl]oxymethoxy]-3-pyrazolin-1-yl]phenyl] ester Formula: C36H32N2O6 MolecularWeight: 588.64908

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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=CC5=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)/C=C/C5=CC=CC=C5

InChI

InChI=1S/C36H32N2O6/c1-2-3-19-32-34(40)37(29-17-11-6-12-18-29)38(35(32)43-26-42-33(39)25-20-27-13-7-4-8-14-27)30-21-23-31(24-22-30)44-36(41)28-15-9-5-10-16-28/h4-18,20-25H,2-3,19,26H2,1H3/b25-20+