3-[2-[2,4-bis(bromanyl)-6-methyl-phenoxy]ethanoylamino]-4-methoxy-benzoic acid

Systemtic Name: 3-[2-[2,4-bis(bromanyl)-6-methyl-phenoxy]ethanoylamino]-4-methoxy-benzoic acid Openeye Name: 3-[[2-(2,4-dibromo-6-methyl-phenoxy)acetyl]amino]-4-methoxy-benzoic acid CAS Name: 3-[[2-(2,4-dibromo-6-methylphenoxy)-1-oxoethyl]amino]-4-methoxybenzoic acid IUPAC Name: 3-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]-4-methoxybenzoic acid Traditional Name: 3-[[2-(2,4-dibromo-6-methyl-phenoxy)acetyl]amino]-4-methoxy-benzoic acid Formula: C17H15Br2NO5 MolecularWeight: 473.1127

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)NC2=C(C=CC(=C2)C(=O)O)OC)Br)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)NC2=C(C=CC(=C2)C(=O)O)OC)Br)Br

InChI

InChI=1S/C17H15Br2NO5/c1-9-5-11(18)7-12(19)16(9)25-8-15(21)20-13-6-10(17(22)23)3-4-14(13)24-2/h3-7H,8H2,1-2H3,(H,20,21)(H,22,23)