4-[2-(4-bromanyl-2-chloranyl-6-methyl-phenoxy)ethanoylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[2-(4-bromanyl-2-chloranyl-6-methyl-phenoxy)ethanoylamino]-3-methyl-benzoic acid Openeye Name: 4-[[2-(4-bromo-2-chloro-6-methyl-phenoxy)acetyl]amino]-3-methyl-benzoic acid CAS Name: 4-[[2-(4-bromo-2-chloro-6-methylphenoxy)-1-oxoethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[[2-(4-bromo-2-chloro-6-methylphenoxy)acetyl]amino]-3-methylbenzoic acid Traditional Name: 4-[[2-(4-bromo-2-chloro-6-methyl-phenoxy)acetyl]amino]-3-methyl-benzoic acid Formula: C17H15BrClNO4 MolecularWeight: 412.6623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrClNO4/c1-9-5-11(17(22)23)3-4-14(9)20-15(21)8-24-16-10(2)6-12(18)7-13(16)19/h3-7H,8H2,1-2H3,(H,20,21)(H,22,23)