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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCCC(CNC(=O)CBr)(C2=CC(=C(C=C2)Cl)Cl)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCCC(CNC(=O)CBr)(C2=CC(=C(C=C2)Cl)Cl)O

InChI

InChI=1S/C19H18BrCl2NO4/c20-11-17(24)23-12-19(26,14-6-7-15(21)16(22)10-14)8-9-27-18(25)13-4-2-1-3-5-13/h1-7,10,26H,8-9,11-12H2,(H,23,24)