(phenylmethyl) (3S)-4-cyano-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Systemtic Name: (phenylmethyl) (3S)-4-cyano-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Openeye Name: benzyl (3S)-3-(tert-butoxycarbonylamino)-4-cyano-butanoate CAS Name: (3S)-4-cyano-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl (3S)-4-cyano-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Traditional Name: (3S)-3-(tert-butoxycarbonylamino)-4-cyano-butyric acid benzyl ester Formula: C17H22N2O4 MolecularWeight: 318.36758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC#N)CC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC#N)CC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C17H22N2O4/c1-17(2,3)23-16(21)19-14(9-10-18)11-15(20)22-12-13-7-5-4-6-8-13/h4-8,14H,9,11-12H2,1-3H3,(H,19,21)/t14-/m0/s1