[(2S)-1-[(4-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-phenyl-1H-pyrazole-5-carboxylate

Systemtic Name: [(2S)-1-[(4-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: [(1S)-2-(4-methoxyanilino)-1-methyl-2-oxo-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [(1S)-2-keto-1-methyl-2-(p-anisidino)ethyl] ester Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC)OC(=O)C2=CC(=NN2)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)OC)OC(=O)C2=CC(=NN2)C3=CC=CC=C3

InChI

InChI=1S/C20H19N3O4/c1-13(19(24)21-15-8-10-16(26-2)11-9-15)27-20(25)18-12-17(22-23-18)14-6-4-3-5-7-14/h3-13H,1-2H3,(H,21,24)(H,22,23)/t13-/m0/s1