(phenylmethyl) (4R,5S)-4-(2-methoxy-2-oxidanylidene-ethyl)-5-(phenylmethoxycarbonylamino)-3,4-dihydropyrazole-5-carboxylate

Systemtic Name: (phenylmethyl) (4R,5S)-4-(2-methoxy-2-oxidanylidene-ethyl)-5-(phenylmethoxycarbonylamino)-3,4-dihydropyrazole-5-carboxylate Openeye Name: benzyl (4R,5S)-5-(benzyloxycarbonylamino)-4-(2-methoxy-2-oxo-ethyl)-3,4-dihydropyrazole-5-carboxylate CAS Name: (4R,5S)-4-(2-methoxy-2-oxoethyl)-5-(phenylmethoxycarbonylamino)-3,4-dihydropyrazole-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (4R,5S)-4-(2-methoxy-2-oxoethyl)-5-(phenylmethoxycarbonylamino)-3,4-dihydropyrazole-5-carboxylate Traditional Name: (3S,4R)-3-(benzyloxycarbonylamino)-4-(2-keto-2-methoxy-ethyl)-1-pyrazoline-3-carboxylic acid benzyl ester Formula: C22H23N3O6 MolecularWeight: 425.43452

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CN=NC1(C(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C[C@@H]1CN=N[C@@]1(C(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H23N3O6/c1-29-19(26)12-18-13-23-25-22(18,20(27)30-14-16-8-4-2-5-9-16)24-21(28)31-15-17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3,(H,24,28)/t18-,22+/m1/s1