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

Systemtic Name: [4-[4-butyl-3-oxidanylidene-2-phenyl-5-[2-(phenylmethoxycarbonylamino)ethanoyloxy]pyrazol-1-yl]phenyl] benzoate Openeye Name: [4-[5-[2-(benzyloxycarbonylamino)acetyl]oxy-4-butyl-3-oxo-2-phenyl-pyrazol-1-yl]phenyl] benzoate CAS Name: benzoic acid [4-[4-butyl-3-oxo-5-[1-oxo-2-(phenylmethoxycarbonylamino)ethoxy]-2-phenyl-1-pyrazolyl]phenyl] ester IUPAC Name: [4-[4-butyl-3-oxo-2-phenyl-5-[2-(phenylmethoxycarbonylamino)acetyl]oxypyrazol-1-yl]phenyl] benzoate Traditional Name: benzoic acid [4-[5-[2-(benzyloxycarbonylamino)acetyl]oxy-4-butyl-3-keto-2-phenyl-3-pyrazolin-1-yl]phenyl] ester Formula: C36H33N3O7 MolecularWeight: 619.66312

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)OCC5=CC=CC=C5

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)OCC5=CC=CC=C5

InChI

InChI=1S/C36H33N3O7/c1-2-3-19-31-33(41)38(28-17-11-6-12-18-28)39(29-20-22-30(23-21-29)45-35(42)27-15-9-5-10-16-27)34(31)46-32(40)24-37-36(43)44-25-26-13-7-4-8-14-26/h4-18,20-23H,2-3,19,24-25H2,1H3,(H,37,43)