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

Systemtic Name: [4-[4-butyl-5-(dimethylcarbamoyloxy)-3-oxidanylidene-2-phenyl-pyrazol-1-yl]phenyl] benzoate Openeye Name: [4-[4-butyl-5-(dimethylcarbamoyloxy)-3-oxo-2-phenyl-pyrazol-1-yl]phenyl] benzoate CAS Name: benzoic acid [4-[4-butyl-5-[dimethylamino(oxo)methoxy]-3-oxo-2-phenyl-1-pyrazolyl]phenyl] ester IUPAC Name: [4-[4-butyl-5-(dimethylcarbamoyloxy)-3-oxo-2-phenylpyrazol-1-yl]phenyl] benzoate Traditional Name: benzoic acid [4-[4-butyl-5-(dimethylcarbamoyloxy)-3-keto-2-phenyl-3-pyrazolin-1-yl]phenyl] ester Formula: C29H29N3O5 MolecularWeight: 499.55766

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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)N(C)C

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)N(C)C

InChI

InChI=1S/C29H29N3O5/c1-4-5-16-25-26(33)31(22-14-10-7-11-15-22)32(27(25)37-29(35)30(2)3)23-17-19-24(20-18-23)36-28(34)21-12-8-6-9-13-21/h6-15,17-20H,4-5,16H2,1-3H3