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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)OCC(=O)NC2=C(C=CC(=C2)C(=O)O)Cl)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)OCC(=O)NC2=C(C=CC(=C2)C(=O)O)Cl)C

InChI

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