2-[[2-bromanyl-5-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propoxy]-4-methyl-phenyl]amino]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[[2-bromanyl-5-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propoxy]-4-methyl-phenyl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[5-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]-2-bromo-4-methyl-anilino]-2-oxo-acetic acid CAS Name: 2-[5-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-2-bromo-4-methylanilino]-2-oxoacetic acid IUPAC Name: 2-[5-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-2-bromo-4-methylanilino]-2-oxoacetic acid Traditional Name: 2-[5-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]-2-bromo-4-methyl-anilino]-2-keto-acetic acid Formula: C23H26BrNO7 MolecularWeight: 508.35904

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCOC2=CC(=C(C=C2C)Br)NC(=O)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCOC2=CC(=C(C=C2C)Br)NC(=O)C(=O)O

InChI

InChI=1S/C23H26BrNO7/c1-4-6-16-19(8-7-15(14(3)26)21(16)27)31-9-5-10-32-20-12-18(17(24)11-13(20)2)25-22(28)23(29)30/h7-8,11-12,27H,4-6,9-10H2,1-3H3,(H,25,28)(H,29,30)