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

Systemtic Name: [1-(4-acetyloxyphenyl)-4-butyl-5-oxidanylidene-2-phenyl-pyrazol-3-yl] 2-(ethoxycarbonylamino)ethanoate Openeye Name: [1-(4-acetoxyphenyl)-4-butyl-5-oxo-2-phenyl-pyrazol-3-yl] 2-(ethoxycarbonylamino)acetate CAS Name: 2-(ethoxycarbonylamino)acetic 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-(ethoxycarbonylamino)acetate Traditional Name: 2-(carbethoxyamino)acetic acid [1-(4-acetoxyphenyl)-4-butyl-5-keto-2-phenyl-3-pyrazolin-3-yl] ester Formula: C26H29N3O7 MolecularWeight: 495.52436

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O7/c1-4-6-12-22-24(32)28(20-13-15-21(16-14-20)35-18(3)30)29(19-10-8-7-9-11-19)25(22)36-23(31)17-27-26(33)34-5-2/h7-11,13-16H,4-6,12,17H2,1-3H3,(H,27,33)