[(2S)-1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [(2S)-1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [(1S)-2-(3,4-dimethylphenyl)-1-methyl-2-oxo-ethyl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-phenyl-4-pyrazolecarboxylic acid [(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate Traditional Name: 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylic acid [(1S)-2-(3,4-dimethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C23H24N2O3 MolecularWeight: 376.44826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(C)OC(=O)C2=C(N(N=C2C)C3=CC=CC=C3)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[C@H](C)OC(=O)C2=C(N(N=C2C)C3=CC=CC=C3)C)C

InChI

InChI=1S/C23H24N2O3/c1-14-11-12-19(13-15(14)2)22(26)18(5)28-23(27)21-16(3)24-25(17(21)4)20-9-7-6-8-10-20/h6-13,18H,1-5H3/t18-/m0/s1