[(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-bromanylphenoxy)ethanoate

Systemtic Name: [(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-bromanylphenoxy)ethanoate Openeye Name: [(1S)-1-methyl-2-(3-methylanilino)-2-oxo-ethyl] 2-(4-bromophenoxy)acetate CAS Name: 2-(4-bromophenoxy)acetic acid [(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-(4-bromophenoxy)acetate Traditional Name: 2-(4-bromophenoxy)acetic acid [(1S)-2-keto-1-methyl-2-(m-toluidino)ethyl] ester Formula: C18H18BrNO4 MolecularWeight: 392.24382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)OC(=O)COC2=CC=C(C=C2)Br

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)[C@H](C)OC(=O)COC2=CC=C(C=C2)Br

InChI

InChI=1S/C18H18BrNO4/c1-12-4-3-5-15(10-12)20-18(22)13(2)24-17(21)11-23-16-8-6-14(19)7-9-16/h3-10,13H,11H2,1-2H3,(H,20,22)/t13-/m0/s1