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

Systemtic Name: [2-(4-acetyloxyphenyl)-4-butyl-5-oxidanylidene-1-phenyl-pyrazol-3-yl]oxymethyl (E)-3-phenylprop-2-enoate Openeye Name: [2-(4-acetoxyphenyl)-4-butyl-5-oxo-1-phenyl-pyrazol-3-yl]oxymethyl (E)-3-phenylprop-2-enoate CAS Name: (E)-3-phenyl-2-propenoic 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 (E)-3-phenylprop-2-enoate Traditional Name: (E)-3-phenylacrylic acid [2-(4-acetoxyphenyl)-4-butyl-5-keto-1-phenyl-3-pyrazolin-3-yl]oxymethyl ester Formula: C31H30N2O6 MolecularWeight: 526.5797

Click to see the large picture

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)C=CC4=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)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C31H30N2O6/c1-3-4-15-28-30(36)32(25-13-9-6-10-14-25)33(26-17-19-27(20-18-26)39-23(2)34)31(28)38-22-37-29(35)21-16-24-11-7-5-8-12-24/h5-14,16-21H,3-4,15,22H2,1-2H3/b21-16+