5-[[3,4-bis(bromanyl)phenoxy]methyl]-2-(propanoylamino)benzoic acid

Systemtic Name: 5-[[3,4-bis(bromanyl)phenoxy]methyl]-2-(propanoylamino)benzoic acid Openeye Name: 5-[(3,4-dibromophenoxy)methyl]-2-(propanoylamino)benzoic acid CAS Name: 5-[(3,4-dibromophenoxy)methyl]-2-(1-oxopropylamino)benzoic acid IUPAC Name: 5-[(3,4-dibromophenoxy)methyl]-2-(propanoylamino)benzoic acid Traditional Name: 5-[(3,4-dibromophenoxy)methyl]-2-propionamido-benzoic acid Formula: C17H15Br2NO4 MolecularWeight: 457.1133

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=C(C=C1)COC2=CC(=C(C=C2)Br)Br)C(=O)O

Isomeric SMILES

CCC(=O)NC1=C(C=C(C=C1)COC2=CC(=C(C=C2)Br)Br)C(=O)O

InChI

InChI=1S/C17H15Br2NO4/c1-2-16(21)20-15-6-3-10(7-12(15)17(22)23)9-24-11-4-5-13(18)14(19)8-11/h3-8H,2,9H2,1H3,(H,20,21)(H,22,23)