(2-cyanophenyl)methyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: (2-cyanophenyl)methyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: (2-cyanophenyl)methyl (2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-methyl-butyric acid (2-cyanobenzyl) ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=CC=C1C#N)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CC=CC=C1C#N)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H22N2O4/c1-15(2)19(23-21(25)27-13-16-8-4-3-5-9-16)20(24)26-14-18-11-7-6-10-17(18)12-22/h3-11,15,19H,13-14H2,1-2H3,(H,23,25)/t19-/m0/s1