(4-cyanophenyl)methyl (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate

Systemtic Name: (4-cyanophenyl)methyl (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate Openeye Name: (4-cyanophenyl)methyl (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[(1-oxo-2-phenylethyl)amino]butanoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(2-phenylacetyl)amino]butyric acid (4-cyanobenzyl) ester Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=C(C=C1)C#N)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CC=C(C=C1)C#N)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C21H22N2O3/c1-15(2)20(23-19(24)12-16-6-4-3-5-7-16)21(25)26-14-18-10-8-17(13-22)9-11-18/h3-11,15,20H,12,14H2,1-2H3,(H,23,24)/t20-/m0/s1