methyl 4-[[3,5-bis(bromanyl)-4-(4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[3,5-bis(bromanyl)-4-(4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenoxy)anilino]-4-oxo-butanoate CAS Name: 4-[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)anilino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)anilino]-4-oxobutanoate Traditional Name: 4-[3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenoxy)anilino]-4-keto-butyric acid methyl ester Formula: C20H21Br2NO5 MolecularWeight: 515.19244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)OC2=C(C=C(C=C2Br)NC(=O)CCC(=O)OC)Br)O

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)OC2=C(C=C(C=C2Br)NC(=O)CCC(=O)OC)Br)O

InChI

InChI=1S/C20H21Br2NO5/c1-11(2)14-10-13(4-5-17(14)24)28-20-15(21)8-12(9-16(20)22)23-18(25)6-7-19(26)27-3/h4-5,8-11,24H,6-7H2,1-3H3,(H,23,25)