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

Systemtic Name: [(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [(1S)-1-methyl-2-(3-methylanilino)-2-oxo-ethyl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-phenyl-4-pyrazolecarboxylic acid [(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate Traditional Name: 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylic acid [(1S)-2-keto-1-methyl-2-(m-toluidino)ethyl] ester Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3/c1-14-9-8-10-18(13-14)23-21(26)17(4)28-22(27)20-15(2)24-25(16(20)3)19-11-6-5-7-12-19/h5-13,17H,1-4H3,(H,23,26)/t17-/m0/s1