[(2S)-1-[(2,4-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(3-bromanylphenoxy)propanoate

Systemtic Name: [(2S)-1-[(2,4-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(3-bromanylphenoxy)propanoate Openeye Name: [(1S)-2-(2,4-dimethylanilino)-1-methyl-2-oxo-ethyl] 3-(3-bromophenoxy)propanoate CAS Name: 3-(3-bromophenoxy)propanoic acid [(2S)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 3-(3-bromophenoxy)propanoate Traditional Name: 3-(3-bromophenoxy)propionic acid [(1S)-2-(2,4-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H22BrNO4 MolecularWeight: 420.29698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)OC(=O)CCOC2=CC(=CC=C2)Br)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@H](C)OC(=O)CCOC2=CC(=CC=C2)Br)C

InChI

InChI=1S/C20H22BrNO4/c1-13-7-8-18(14(2)11-13)22-20(24)15(3)26-19(23)9-10-25-17-6-4-5-16(21)12-17/h4-8,11-12,15H,9-10H2,1-3H3,(H,22,24)/t15-/m0/s1