[[2-(3,4-dichlorophenyl)-2-oxidanyl-butyl]amino] 2-(2-bromanylethanoyl)benzoate

Systemtic Name: [[2-(3,4-dichlorophenyl)-2-oxidanyl-butyl]amino] 2-(2-bromanylethanoyl)benzoate Openeye Name: [[2-(3,4-dichlorophenyl)-2-hydroxy-butyl]amino] 2-(2-bromoacetyl)benzoate CAS Name: 2-(2-bromo-1-oxoethyl)benzoic acid [[2-(3,4-dichlorophenyl)-2-hydroxybutyl]amino] ester IUPAC Name: [[2-(3,4-dichlorophenyl)-2-hydroxybutyl]amino] 2-(2-bromoacetyl)benzoate Traditional Name: 2-(2-bromoacetyl)benzoic acid [[2-(3,4-dichlorophenyl)-2-hydroxy-butyl]amino] ester Formula: C19H18BrCl2NO4 MolecularWeight: 475.16052

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNOC(=O)C1=CC=CC=C1C(=O)CBr)(C2=CC(=C(C=C2)Cl)Cl)O

Isomeric SMILES

CCC(CNOC(=O)C1=CC=CC=C1C(=O)CBr)(C2=CC(=C(C=C2)Cl)Cl)O

InChI

InChI=1S/C19H18BrCl2NO4/c1-2-19(26,12-7-8-15(21)16(22)9-12)11-23-27-18(25)14-6-4-3-5-13(14)17(24)10-20/h3-9,23,26H,2,10-11H2,1H3