2-(4-bromanylphenoxy)ethyl (2S)-3-methyl-2-[(2-methylphenyl)carbonylamino]butanoate

Systemtic Name: 2-(4-bromanylphenoxy)ethyl (2S)-3-methyl-2-[(2-methylphenyl)carbonylamino]butanoate Openeye Name: 2-(4-bromophenoxy)ethyl (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[(2-methylphenyl)-oxomethyl]amino]butanoic acid 2-(4-bromophenoxy)ethyl ester IUPAC Name: 2-(4-bromophenoxy)ethyl (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-(o-toluoylamino)butyric acid 2-(4-bromophenoxy)ethyl ester Formula: C21H24BrNO4 MolecularWeight: 434.32356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)OCCOC2=CC=C(C=C2)Br

Isomeric SMILES

CC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)OCCOC2=CC=C(C=C2)Br

InChI

InChI=1S/C21H24BrNO4/c1-14(2)19(23-20(24)18-7-5-4-6-15(18)3)21(25)27-13-12-26-17-10-8-16(22)9-11-17/h4-11,14,19H,12-13H2,1-3H3,(H,23,24)/t19-/m0/s1