4-[2-(2-bromanyl-4-methyl-phenoxy)ethanoylamino]-5-chloranyl-2-methoxy-benzoic acid

Systemtic Name: 4-[2-(2-bromanyl-4-methyl-phenoxy)ethanoylamino]-5-chloranyl-2-methoxy-benzoic acid Openeye Name: 4-[[2-(2-bromo-4-methyl-phenoxy)acetyl]amino]-5-chloro-2-methoxy-benzoic acid CAS Name: 4-[[2-(2-bromo-4-methylphenoxy)-1-oxoethyl]amino]-5-chloro-2-methoxybenzoic acid IUPAC Name: 4-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-5-chloro-2-methoxybenzoic acid Traditional Name: 4-[[2-(2-bromo-4-methyl-phenoxy)acetyl]amino]-5-chloro-2-methoxy-benzoic acid Formula: C17H15BrClNO5 MolecularWeight: 428.6617

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrClNO5/c1-9-3-4-14(11(18)5-9)25-8-16(21)20-13-7-15(24-2)10(17(22)23)6-12(13)19/h3-7H,8H2,1-2H3,(H,20,21)(H,22,23)