[(2S)-1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(2,4,6-trimethylanilino)ethyl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate CAS Name: 5-cyclopropyl-2-phenyl-3-pyrazolecarboxylic acid [(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 5-cyclopropyl-2-phenylpyrazole-3-carboxylate Traditional Name: 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylic acid [(1S)-2-keto-2-mesidino-1-methyl-ethyl] ester Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C(C)OC(=O)C2=CC(=NN2C3=CC=CC=C3)C4CC4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)[C@H](C)OC(=O)C2=CC(=NN2C3=CC=CC=C3)C4CC4)C

InChI

InChI=1S/C25H27N3O3/c1-15-12-16(2)23(17(3)13-15)26-24(29)18(4)31-25(30)22-14-21(19-10-11-19)27-28(22)20-8-6-5-7-9-20/h5-9,12-14,18-19H,10-11H2,1-4H3,(H,26,29)/t18-/m0/s1