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

Systemtic Name: (phenylmethyl) (2S)-3-(3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: benzyl (2S)-2-(benzyloxycarbonylamino)-3-(3-oxo-2-phenyl-1H-pyrazol-4-yl)propanoate CAS Name: (2S)-3-(3-oxo-2-phenyl-1H-pyrazol-4-yl)-2-(phenylmethoxycarbonylamino)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-3-(3-oxo-2-phenyl-1H-pyrazol-4-yl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-(5-keto-1-phenyl-3-pyrazolin-4-yl)propionic acid benzyl ester Formula: C27H25N3O5 MolecularWeight: 471.5045

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CC2=CNN(C2=O)C3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)[C@H](CC2=CNN(C2=O)C3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H25N3O5/c31-25-22(17-28-30(25)23-14-8-3-9-15-23)16-24(26(32)34-18-20-10-4-1-5-11-20)29-27(33)35-19-21-12-6-2-7-13-21/h1-15,17,24,28H,16,18-19H2,(H,29,33)/t24-/m0/s1