(phenylmethyl) (2S)-3-(2-ethanoyl-3-oxidanylidene-1H-pyrazol-4-yl)-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: (phenylmethyl) (2S)-3-(2-ethanoyl-3-oxidanylidene-1H-pyrazol-4-yl)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: benzyl (2S)-3-(2-acetyl-3-oxo-1H-pyrazol-4-yl)-2-(benzyloxycarbonylamino)propanoate CAS Name: (2S)-3-(2-acetyl-3-oxo-1H-pyrazol-4-yl)-2-(phenylmethoxycarbonylamino)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-3-(2-acetyl-3-oxo-1H-pyrazol-4-yl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-3-(1-acetyl-5-keto-3-pyrazolin-4-yl)-2-(benzyloxycarbonylamino)propionic acid benzyl ester Formula: C23H23N3O6 MolecularWeight: 437.44522

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(=O)C(=CN1)CC(C(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(=O)N1C(=O)C(=CN1)C[C@@H](C(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H23N3O6/c1-16(27)26-21(28)19(13-24-26)12-20(22(29)31-14-17-8-4-2-5-9-17)25-23(30)32-15-18-10-6-3-7-11-18/h2-11,13,20,24H,12,14-15H2,1H3,(H,25,30)/t20-/m0/s1