(2S)-N-[4-(cyanomethyl)phenyl]-3-methyl-2-(2-phenoxyethanoylamino)butanamide

Systemtic Name: (2S)-N-[4-(cyanomethyl)phenyl]-3-methyl-2-(2-phenoxyethanoylamino)butanamide Openeye Name: (2S)-N-[4-(cyanomethyl)phenyl]-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide CAS Name: (2S)-N-[4-(cyanomethyl)phenyl]-3-methyl-2-[(1-oxo-2-phenoxyethyl)amino]butanamide IUPAC Name: (2S)-N-[4-(cyanomethyl)phenyl]-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide Traditional Name: (2S)-N-[4-(cyanomethyl)phenyl]-3-methyl-2-[(2-phenoxyacetyl)amino]butyramide Formula: C21H23N3O3 MolecularWeight: 365.42562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=C(C=C1)CC#N)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=CC=C(C=C1)CC#N)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C21H23N3O3/c1-15(2)20(24-19(25)14-27-18-6-4-3-5-7-18)21(26)23-17-10-8-16(9-11-17)12-13-22/h3-11,15,20H,12,14H2,1-2H3,(H,23,26)(H,24,25)/t20-/m0/s1