[(2S)-1-[(2,4-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-bromanyl-5-methoxy-benzoate

Systemtic Name: [(2S)-1-[(2,4-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-bromanyl-5-methoxy-benzoate Openeye Name: [(1S)-2-(2,4-dimethylanilino)-1-methyl-2-oxo-ethyl] 2-bromo-5-methoxy-benzoate CAS Name: 2-bromo-5-methoxybenzoic acid [(2S)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 2-bromo-5-methoxybenzoate Traditional Name: 2-bromo-5-methoxy-benzoic acid [(1S)-2-(2,4-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C19H20BrNO4 MolecularWeight: 406.2704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrNO4/c1-11-5-8-17(12(2)9-11)21-18(22)13(3)25-19(23)15-10-14(24-4)6-7-16(15)20/h5-10,13H,1-4H3,(H,21,22)/t13-/m0/s1