(4-butyl-5-oxidanylidene-1,2-diphenyl-pyrazol-3-yl)oxymethyl (E)-3-phenylprop-2-enoate

Systemtic Name: (4-butyl-5-oxidanylidene-1,2-diphenyl-pyrazol-3-yl)oxymethyl (E)-3-phenylprop-2-enoate Openeye Name: (4-butyl-5-oxo-1,2-diphenyl-pyrazol-3-yl)oxymethyl (E)-3-phenylprop-2-enoate CAS Name: (E)-3-phenyl-2-propenoic acid (4-butyl-5-oxo-1,2-diphenyl-3-pyrazolyl)oxymethyl ester IUPAC Name: (4-butyl-5-oxo-1,2-diphenylpyrazol-3-yl)oxymethyl (E)-3-phenylprop-2-enoate Traditional Name: (E)-3-phenylacrylic acid (4-butyl-5-keto-1,2-diphenyl-3-pyrazolin-3-yl)oxymethyl ester Formula: C29H28N2O4 MolecularWeight: 468.54362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)OCOC(=O)C=CC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C29H28N2O4/c1-2-3-19-26-28(33)30(24-15-9-5-10-16-24)31(25-17-11-6-12-18-25)29(26)35-22-34-27(32)21-20-23-13-7-4-8-14-23/h4-18,20-21H,2-3,19,22H2,1H3/b21-20+