[1-(4-acetyloxyphenyl)-4-butyl-5-oxidanylidene-2-phenyl-pyrazol-3-yl] 2-formamidoethanoate

Systemtic Name: [1-(4-acetyloxyphenyl)-4-butyl-5-oxidanylidene-2-phenyl-pyrazol-3-yl] 2-formamidoethanoate Openeye Name: [1-(4-acetoxyphenyl)-4-butyl-5-oxo-2-phenyl-pyrazol-3-yl] 2-formamidoacetate CAS Name: 2-formamidoacetic acid [1-(4-acetyloxyphenyl)-4-butyl-5-oxo-2-phenyl-3-pyrazolyl] ester IUPAC Name: [1-(4-acetyloxyphenyl)-4-butyl-5-oxo-2-phenylpyrazol-3-yl] 2-formamidoacetate Traditional Name: 2-formamidoacetic acid [1-(4-acetoxyphenyl)-4-butyl-5-keto-2-phenyl-3-pyrazolin-3-yl] ester Formula: C24H25N3O6 MolecularWeight: 451.4718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(N(C1=O)C2=CC=C(C=C2)OC(=O)C)C3=CC=CC=C3)OC(=O)CNC=O

Isomeric SMILES

CCCCC1=C(N(N(C1=O)C2=CC=C(C=C2)OC(=O)C)C3=CC=CC=C3)OC(=O)CNC=O

InChI

InChI=1S/C24H25N3O6/c1-3-4-10-21-23(31)26(19-11-13-20(14-12-19)32-17(2)29)27(18-8-6-5-7-9-18)24(21)33-22(30)15-25-16-28/h5-9,11-14,16H,3-4,10,15H2,1-2H3,(H,25,28)