[1-[4-(2,2-dimethylpropanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] 4-(pyrazol-1-ylmethyl)benzoate

Systemtic Name: [1-[4-(2,2-dimethylpropanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] 4-(pyrazol-1-ylmethyl)benzoate Openeye Name: [2-[4-(2,2-dimethylpropanoylamino)phenyl]-1-methyl-2-oxo-ethyl] 4-(pyrazol-1-ylmethyl)benzoate CAS Name: 4-(1-pyrazolylmethyl)benzoic acid [1-[4-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]-1-oxopropan-2-yl] ester IUPAC Name: [1-[4-(2,2-dimethylpropanoylamino)phenyl]-1-oxopropan-2-yl] 4-(pyrazol-1-ylmethyl)benzoate Traditional Name: 4-(pyrazol-1-ylmethyl)benzoic acid [2-keto-1-methyl-2-[4-(pivaloylamino)phenyl]ethyl] ester Formula: C25H27N3O4 MolecularWeight: 433.49958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)NC(=O)C(C)(C)C)OC(=O)C2=CC=C(C=C2)CN3C=CC=N3

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)NC(=O)C(C)(C)C)OC(=O)C2=CC=C(C=C2)CN3C=CC=N3

InChI

InChI=1S/C25H27N3O4/c1-17(22(29)19-10-12-21(13-11-19)27-24(31)25(2,3)4)32-23(30)20-8-6-18(7-9-20)16-28-15-5-14-26-28/h5-15,17H,16H2,1-4H3,(H,27,31)