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

Systemtic Name: [4-[4-butyl-5-[2-(ethoxycarbonylamino)ethanoyloxy]-3-oxidanylidene-2-phenyl-pyrazol-1-yl]phenyl] benzoate Openeye Name: [4-[4-butyl-5-[2-(ethoxycarbonylamino)acetyl]oxy-3-oxo-2-phenyl-pyrazol-1-yl]phenyl] benzoate CAS Name: benzoic acid [4-[4-butyl-5-[2-(ethoxycarbonylamino)-1-oxoethoxy]-3-oxo-2-phenyl-1-pyrazolyl]phenyl] ester IUPAC Name: [4-[4-butyl-5-[2-(ethoxycarbonylamino)acetyl]oxy-3-oxo-2-phenylpyrazol-1-yl]phenyl] benzoate Traditional Name: benzoic acid [4-[4-butyl-5-[2-(carbethoxyamino)acetyl]oxy-3-keto-2-phenyl-3-pyrazolin-1-yl]phenyl] ester Formula: C31H31N3O7 MolecularWeight: 557.59374

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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)OCC

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)OCC

InChI

InChI=1S/C31H31N3O7/c1-3-5-16-26-28(36)33(23-14-10-7-11-15-23)34(29(26)41-27(35)21-32-31(38)39-4-2)24-17-19-25(20-18-24)40-30(37)22-12-8-6-9-13-22/h6-15,17-20H,3-5,16,21H2,1-2H3,(H,32,38)