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

Systemtic Name: (phenylmethyl) (3S)-4-(3-cyanophenoxy)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Openeye Name: benzyl (3S)-3-(tert-butoxycarbonylamino)-4-(3-cyanophenoxy)butanoate CAS Name: (3S)-4-(3-cyanophenoxy)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl (3S)-4-(3-cyanophenoxy)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Traditional Name: (3S)-3-(tert-butoxycarbonylamino)-4-(3-cyanophenoxy)butyric acid benzyl ester Formula: C23H26N2O5 MolecularWeight: 410.46294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC(=O)OCC1=CC=CC=C1)COC2=CC=CC(=C2)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC(=O)OCC1=CC=CC=C1)COC2=CC=CC(=C2)C#N

InChI

InChI=1S/C23H26N2O5/c1-23(2,3)30-22(27)25-19(16-28-20-11-7-10-18(12-20)14-24)13-21(26)29-15-17-8-5-4-6-9-17/h4-12,19H,13,15-16H2,1-3H3,(H,25,27)/t19-/m0/s1