[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(4-bromanylphenoxy)propanoate

Systemtic Name: [2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(4-bromanylphenoxy)propanoate Openeye Name: [2-(3-methylanilino)-2-oxo-ethyl] (2S)-2-(4-bromophenoxy)propanoate CAS Name: (2S)-2-(4-bromophenoxy)propanoic acid [2-(3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylanilino)-2-oxoethyl] (2S)-2-(4-bromophenoxy)propanoate Traditional Name: (2S)-2-(4-bromophenoxy)propionic acid [2-keto-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)COC(=O)C(C)OC2=CC=C(C=C2)Br

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)COC(=O)[C@H](C)OC2=CC=C(C=C2)Br

InChI

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