(4-bromophenyl)methyl (2S)-3-methyl-2-(2-phenoxyethanoylamino)butanoate

Systemtic Name: (4-bromophenyl)methyl (2S)-3-methyl-2-(2-phenoxyethanoylamino)butanoate Openeye Name: (4-bromophenyl)methyl (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[(1-oxo-2-phenoxyethyl)amino]butanoic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]butyric acid (4-bromobenzyl) ester Formula: C20H22BrNO4 MolecularWeight: 420.29698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=C(C=C1)Br)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CC=C(C=C1)Br)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C20H22BrNO4/c1-14(2)19(20(24)26-12-15-8-10-16(21)11-9-15)22-18(23)13-25-17-6-4-3-5-7-17/h3-11,14,19H,12-13H2,1-2H3,(H,22,23)/t19-/m0/s1