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

Systemtic Name: [(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 3-(2-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [(1S)-2-(isopropylamino)-1-methyl-2-oxo-ethyl] 3-(2-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(2-methoxyphenyl)-1-phenyl-4-pyrazolecarboxylic acid [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(2-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylic acid [(1S)-2-(isopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(C)OC(=O)C1=CN(N=C1C2=CC=CC=C2OC)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC(C)C)OC(=O)C1=CN(N=C1C2=CC=CC=C2OC)C3=CC=CC=C3

InChI

InChI=1S/C23H25N3O4/c1-15(2)24-22(27)16(3)30-23(28)19-14-26(17-10-6-5-7-11-17)25-21(19)18-12-8-9-13-20(18)29-4/h5-16H,1-4H3,(H,24,27)/t16-/m0/s1