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

Systemtic Name: [(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate Openeye Name: [(1S)-2-(isopropylamino)-1-methyl-2-oxo-ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-methoxy-1-phenyl-3-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] 4-methoxy-1-phenylpyrazole-3-carboxylate Traditional Name: 4-methoxy-1-phenyl-pyrazole-3-carboxylic acid [(1S)-2-(isopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(C)OC(=O)C1=NN(C=C1OC)C2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)NC(C)C)OC(=O)C1=NN(C=C1OC)C2=CC=CC=C2

InChI

InChI=1S/C17H21N3O4/c1-11(2)18-16(21)12(3)24-17(22)15-14(23-4)10-20(19-15)13-8-6-5-7-9-13/h5-12H,1-4H3,(H,18,21)/t12-/m0/s1