methyl 3-bromanyl-4-[(1S)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethoxy]benzoate

Systemtic Name: methyl 3-bromanyl-4-[(1S)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethoxy]benzoate Openeye Name: methyl 3-bromo-4-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethoxy]benzoate CAS Name: 3-bromo-4-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethoxy]benzoic acid methyl ester IUPAC Name: methyl 3-bromo-4-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethoxy]benzoate Traditional Name: 3-bromo-4-[(1S)-2-(cyclopropylamino)-2-keto-1-phenyl-ethoxy]benzoic acid methyl ester Formula: C19H18BrNO4 MolecularWeight: 404.25452

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OC(C2=CC=CC=C2)C(=O)NC3CC3)Br

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)O[C@@H](C2=CC=CC=C2)C(=O)NC3CC3)Br

InChI

InChI=1S/C19H18BrNO4/c1-24-19(23)13-7-10-16(15(20)11-13)25-17(12-5-3-2-4-6-12)18(22)21-14-8-9-14/h2-7,10-11,14,17H,8-9H2,1H3,(H,21,22)/t17-/m0/s1