5-[[2-(4-bromanyl-2-chloranyl-6-methyl-phenoxy)ethanoylamino]methyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[[2-(4-bromanyl-2-chloranyl-6-methyl-phenoxy)ethanoylamino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[[2-(4-bromo-2-chloro-6-methyl-phenoxy)acetyl]amino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[2-(4-bromo-2-chloro-6-methylphenoxy)-1-oxoethyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[[2-(4-bromo-2-chloro-6-methylphenoxy)acetyl]amino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[[2-(4-bromo-2-chloro-6-methyl-phenoxy)acetyl]amino]methyl]-2-methoxy-benzoic acid Formula: C18H17BrClNO5 MolecularWeight: 442.68828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)NCC2=CC(=C(C=C2)OC)C(=O)O)Cl)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)NCC2=CC(=C(C=C2)OC)C(=O)O)Cl)Br

InChI

InChI=1S/C18H17BrClNO5/c1-10-5-12(19)7-14(20)17(10)26-9-16(22)21-8-11-3-4-15(25-2)13(6-11)18(23)24/h3-7H,8-9H2,1-2H3,(H,21,22)(H,23,24)