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

Systemtic Name: [2-(4-acetyloxyphenyl)-4-butyl-5-oxidanylidene-1-phenyl-pyrazol-3-yl] 2-(phenylmethoxycarbonylamino)ethanoate Openeye Name: [2-(4-acetoxyphenyl)-4-butyl-5-oxo-1-phenyl-pyrazol-3-yl] 2-(benzyloxycarbonylamino)acetate CAS Name: 2-(phenylmethoxycarbonylamino)acetic acid [2-(4-acetyloxyphenyl)-4-butyl-5-oxo-1-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(4-acetyloxyphenyl)-4-butyl-5-oxo-1-phenylpyrazol-3-yl] 2-(phenylmethoxycarbonylamino)acetate Traditional Name: 2-(benzyloxycarbonylamino)acetic acid [2-(4-acetoxyphenyl)-4-butyl-5-keto-1-phenyl-3-pyrazolin-3-yl] 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)C)OC(=O)CNC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=C(C=C3)OC(=O)C)OC(=O)CNC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C31H31N3O7/c1-3-4-15-27-29(37)33(24-13-9-6-10-14-24)34(25-16-18-26(19-17-25)40-22(2)35)30(27)41-28(36)20-32-31(38)39-21-23-11-7-5-8-12-23/h5-14,16-19H,3-4,15,20-21H2,1-2H3,(H,32,38)