cyanomethyl (2S)-3-methyl-2-(2-phenoxyethanoylamino)butanoate

Systemtic Name: cyanomethyl (2S)-3-methyl-2-(2-phenoxyethanoylamino)butanoate Openeye Name: cyanomethyl (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[(1-oxo-2-phenoxyethyl)amino]butanoic acid cyanomethyl ester IUPAC Name: cyanomethyl (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]butyric acid cyanomethyl ester Formula: C15H18N2O4 MolecularWeight: 290.31442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC#N)NC(=O)COC1=CC=CC=C1

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC#N)NC(=O)COC1=CC=CC=C1

InChI

InChI=1S/C15H18N2O4/c1-11(2)14(15(19)20-9-8-16)17-13(18)10-21-12-6-4-3-5-7-12/h3-7,11,14H,9-10H2,1-2H3,(H,17,18)/t14-/m0/s1