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

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] 3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)propan-2-yl] 3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [(1S)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C16H19N3O3 MolecularWeight: 301.34036

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC(=O)C1=CC(=NN1)C2=CC=CC=C2

Isomeric SMILES

CCCNC(=O)[C@H](C)OC(=O)C1=CC(=NN1)C2=CC=CC=C2

InChI

InChI=1S/C16H19N3O3/c1-3-9-17-15(20)11(2)22-16(21)14-10-13(18-19-14)12-7-5-4-6-8-12/h4-8,10-11H,3,9H2,1-2H3,(H,17,20)(H,18,19)/t11-/m0/s1