(4-butyl-5-oxidanylidene-1,2-diphenyl-pyrazol-3-yl) 4-phenylmethoxybenzoate

Systemtic Name: (4-butyl-5-oxidanylidene-1,2-diphenyl-pyrazol-3-yl) 4-phenylmethoxybenzoate Openeye Name: (4-butyl-5-oxo-1,2-diphenyl-pyrazol-3-yl) 4-benzyloxybenzoate CAS Name: 4-phenylmethoxybenzoic acid (4-butyl-5-oxo-1,2-diphenyl-3-pyrazolyl) ester IUPAC Name: (4-butyl-5-oxo-1,2-diphenylpyrazol-3-yl) 4-phenylmethoxybenzoate Traditional Name: 4-benzoxybenzoic acid (4-butyl-5-keto-1,2-diphenyl-3-pyrazolin-3-yl) ester Formula: C33H30N2O4 MolecularWeight: 518.6023

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C33H30N2O4/c1-2-3-19-30-31(36)34(27-15-9-5-10-16-27)35(28-17-11-6-12-18-28)32(30)39-33(37)26-20-22-29(23-21-26)38-24-25-13-7-4-8-14-25/h4-18,20-23H,2-3,19,24H2,1H3