2-(4-methylphenoxy)ethyl (2S)-2-[(2-bromophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: 2-(4-methylphenoxy)ethyl (2S)-2-[(2-bromophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: 2-(4-methylphenoxy)ethyl (2S)-2-[(2-bromobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-bromophenyl)-oxomethyl]amino]-3-methylbutanoic acid 2-(4-methylphenoxy)ethyl ester IUPAC Name: 2-(4-methylphenoxy)ethyl (2S)-2-[(2-bromobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-bromobenzoyl)amino]-3-methyl-butyric acid 2-(4-methylphenoxy)ethyl ester Formula: C21H24BrNO4 MolecularWeight: 434.32356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCOC(=O)C(C(C)C)NC(=O)C2=CC=CC=C2Br

Isomeric SMILES

CC1=CC=C(C=C1)OCCOC(=O)[C@H](C(C)C)NC(=O)C2=CC=CC=C2Br

InChI

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