2-[4-[2,4-bis(chloranyl)phenoxy]butanoylamino]-5-bromanyl-benzoic acid

Systemtic Name: 2-[4-[2,4-bis(chloranyl)phenoxy]butanoylamino]-5-bromanyl-benzoic acid Openeye Name: 5-bromo-2-[4-(2,4-dichlorophenoxy)butanoylamino]benzoic acid CAS Name: 5-bromo-2-[[4-(2,4-dichlorophenoxy)-1-oxobutyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[4-(2,4-dichlorophenoxy)butanoylamino]benzoic acid Traditional Name: 5-bromo-2-[4-(2,4-dichlorophenoxy)butanoylamino]benzoic acid Formula: C17H14BrCl2NO4 MolecularWeight: 447.10736

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)NC2=C(C=C(C=C2)Br)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)NC2=C(C=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C17H14BrCl2NO4/c18-10-3-5-14(12(8-10)17(23)24)21-16(22)2-1-7-25-15-6-4-11(19)9-13(15)20/h3-6,8-9H,1-2,7H2,(H,21,22)(H,23,24)