2-(3-bromanylphenoxy)ethyl (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate

Systemtic Name: 2-(3-bromanylphenoxy)ethyl (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate Openeye Name: 2-(3-bromophenoxy)ethyl (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[(1-oxo-2-phenylethyl)amino]butanoic acid 2-(3-bromophenoxy)ethyl ester IUPAC Name: 2-(3-bromophenoxy)ethyl (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(2-phenylacetyl)amino]butyric acid 2-(3-bromophenoxy)ethyl ester Formula: C21H24BrNO4 MolecularWeight: 434.32356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCCOC1=CC(=CC=C1)Br)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)OCCOC1=CC(=CC=C1)Br)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C21H24BrNO4/c1-15(2)20(23-19(24)13-16-7-4-3-5-8-16)21(25)27-12-11-26-18-10-6-9-17(22)14-18/h3-10,14-15,20H,11-13H2,1-2H3,(H,23,24)/t20-/m0/s1