[(2S)-1-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-1-oxidanylidene-propan-2-yl] 4-(3-methylbutoxy)benzoate

Systemtic Name: [(2S)-1-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-1-oxidanylidene-propan-2-yl] 4-(3-methylbutoxy)benzoate Openeye Name: [(1S)-2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-1-methyl-2-oxo-ethyl] 4-isopentyloxybenzoate CAS Name: 4-(3-methylbutoxy)benzoic acid [(2S)-1-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 4-(3-methylbutoxy)benzoate Traditional Name: 4-isoamoxybenzoic acid [(1S)-2-keto-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]-1-methyl-ethyl] ester Formula: C26H31N3O5 MolecularWeight: 465.54144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)OC(=O)C3=CC=C(C=C3)OCCC(C)C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)[C@H](C)OC(=O)C3=CC=C(C=C3)OCCC(C)C

InChI

InChI=1S/C26H31N3O5/c1-17(2)15-16-33-22-13-11-20(12-14-22)26(32)34-19(4)24(30)27-23-18(3)28(5)29(25(23)31)21-9-7-6-8-10-21/h6-14,17,19H,15-16H2,1-5H3,(H,27,30)/t19-/m0/s1