methyl 3-bromanyl-4-[(2R)-1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl]oxy-benzoate

Systemtic Name: methyl 3-bromanyl-4-[(2R)-1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl]oxy-benzoate Openeye Name: methyl 3-bromo-4-[(1R)-2-(2,5-dimethylanilino)-1-methyl-2-oxo-ethoxy]benzoate CAS Name: 3-bromo-4-[(2R)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]oxybenzoic acid methyl ester IUPAC Name: methyl 3-bromo-4-[(2R)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]oxybenzoate Traditional Name: 3-bromo-4-[(1R)-2-(2,5-dimethylanilino)-2-keto-1-methyl-ethoxy]benzoic acid methyl ester Formula: C19H20BrNO4 MolecularWeight: 406.2704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C)OC2=C(C=C(C=C2)C(=O)OC)Br

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrNO4/c1-11-5-6-12(2)16(9-11)21-18(22)13(3)25-17-8-7-14(10-15(17)20)19(23)24-4/h5-10,13H,1-4H3,(H,21,22)/t13-/m1/s1