(phenylmethyl) (2S,4S)-2-cyano-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S,4S)-2-cyano-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carboxylate Openeye Name: benzyl (2S,4S)-4-(tert-butoxycarbonylamino)-2-cyano-pyrrolidine-1-carboxylate CAS Name: (2S,4S)-2-cyano-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,4S)-2-cyano-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carboxylate Traditional Name: (2S,4S)-4-(tert-butoxycarbonylamino)-2-cyano-pyrrolidine-1-carboxylic acid benzyl ester Formula: C18H23N3O4 MolecularWeight: 345.39292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CC(N(C1)C(=O)OCC2=CC=CC=C2)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H]1C[C@H](N(C1)C(=O)OCC2=CC=CC=C2)C#N

InChI

InChI=1S/C18H23N3O4/c1-18(2,3)25-16(22)20-14-9-15(10-19)21(11-14)17(23)24-12-13-7-5-4-6-8-13/h4-8,14-15H,9,11-12H2,1-3H3,(H,20,22)/t14-,15-/m0/s1