[4-[4-butyl-5-(2-formamidoethanoyloxy)-3-oxidanylidene-2-phenyl-pyrazol-1-yl]phenyl] benzoate

Systemtic Name: [4-[4-butyl-5-(2-formamidoethanoyloxy)-3-oxidanylidene-2-phenyl-pyrazol-1-yl]phenyl] benzoate Openeye Name: [4-[4-butyl-5-(2-formamidoacetyl)oxy-3-oxo-2-phenyl-pyrazol-1-yl]phenyl] benzoate CAS Name: benzoic acid [4-[4-butyl-5-(2-formamido-1-oxoethoxy)-3-oxo-2-phenyl-1-pyrazolyl]phenyl] ester IUPAC Name: [4-[4-butyl-5-(2-formamidoacetyl)oxy-3-oxo-2-phenylpyrazol-1-yl]phenyl] benzoate Traditional Name: benzoic acid [4-[4-butyl-5-(2-formamidoacetyl)oxy-3-keto-2-phenyl-3-pyrazolin-1-yl]phenyl] ester Formula: C29H27N3O6 MolecularWeight: 513.54118

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)C4=CC=CC=C4)OC(=O)CNC=O

Isomeric SMILES

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

InChI

InChI=1S/C29H27N3O6/c1-2-3-14-25-27(35)31(22-12-8-5-9-13-22)32(28(25)38-26(34)19-30-20-33)23-15-17-24(18-16-23)37-29(36)21-10-6-4-7-11-21/h4-13,15-18,20H,2-3,14,19H2,1H3,(H,30,33)