4-[2-(4-bromanyl-3-methyl-phenoxy)ethanoylamino]-5-chloranyl-2-methoxy-benzoic acid

Systemtic Name: 4-[2-(4-bromanyl-3-methyl-phenoxy)ethanoylamino]-5-chloranyl-2-methoxy-benzoic acid Openeye Name: 4-[[2-(4-bromo-3-methyl-phenoxy)acetyl]amino]-5-chloro-2-methoxy-benzoic acid CAS Name: 4-[[2-(4-bromo-3-methylphenoxy)-1-oxoethyl]amino]-5-chloro-2-methoxybenzoic acid IUPAC Name: 4-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]-5-chloro-2-methoxybenzoic acid Traditional Name: 4-[[2-(4-bromo-3-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=C(C=CC(=C1)OCC(=O)NC2=C(C=C(C(=C2)OC)C(=O)O)Cl)Br

Isomeric SMILES

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

InChI

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