[1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl] (2S)-2-benzamido-3-methyl-butanoate

Systemtic Name: [1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl] (2S)-2-benzamido-3-methyl-butanoate Openeye Name: [2-(4-bromophenyl)-1-methyl-2-oxo-ethyl] (2S)-2-benzamido-3-methyl-butanoate CAS Name: (2S)-2-benzamido-3-methylbutanoic acid [1-(4-bromophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-bromophenyl)-1-oxopropan-2-yl] (2S)-2-benzamido-3-methylbutanoate Traditional Name: (2S)-2-benzamido-3-methyl-butyric acid [2-(4-bromophenyl)-2-keto-1-methyl-ethyl] ester Formula: C21H22BrNO4 MolecularWeight: 432.30768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrNO4/c1-13(2)18(23-20(25)16-7-5-4-6-8-16)21(26)27-14(3)19(24)15-9-11-17(22)12-10-15/h4-14,18H,1-3H3,(H,23,25)/t14?,18-/m0/s1