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

Systemtic Name: 3-[2-(2-bromanyl-4,6-dimethyl-phenoxy)ethanoylamino]-4-methoxy-benzoic acid Openeye Name: 3-[[2-(2-bromo-4,6-dimethyl-phenoxy)acetyl]amino]-4-methoxy-benzoic acid CAS Name: 3-[[2-(2-bromo-4,6-dimethylphenoxy)-1-oxoethyl]amino]-4-methoxybenzoic acid IUPAC Name: 3-[[2-(2-bromo-4,6-dimethylphenoxy)acetyl]amino]-4-methoxybenzoic acid Traditional Name: 3-[[2-(2-bromo-4,6-dimethyl-phenoxy)acetyl]amino]-4-methoxy-benzoic acid Formula: C18H18BrNO5 MolecularWeight: 408.24322

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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)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrNO5/c1-10-6-11(2)17(13(19)7-10)25-9-16(21)20-14-8-12(18(22)23)4-5-15(14)24-3/h4-8H,9H2,1-3H3,(H,20,21)(H,22,23)