(5-bromanyl-2-methoxy-phenyl)methyl (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate Openeye Name: (5-bromo-2-methoxy-phenyl)methyl (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[(1-oxo-2-phenylethyl)amino]butanoic acid (5-bromo-2-methoxyphenyl)methyl ester IUPAC Name: (5-bromo-2-methoxyphenyl)methyl (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(2-phenylacetyl)amino]butyric acid (5-bromo-2-methoxy-benzyl) ester Formula: C21H24BrNO4 MolecularWeight: 434.32356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=C(C=CC(=C1)Br)OC)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=C(C=CC(=C1)Br)OC)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C21H24BrNO4/c1-14(2)20(23-19(24)11-15-7-5-4-6-8-15)21(25)27-13-16-12-17(22)9-10-18(16)26-3/h4-10,12,14,20H,11,13H2,1-3H3,(H,23,24)/t20-/m0/s1