2-[[3,5-bis(bromanyl)-4-(2-ethanoyl-4-methoxy-5-propan-2-yl-phenoxy)phenyl]amino]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[[3,5-bis(bromanyl)-4-(2-ethanoyl-4-methoxy-5-propan-2-yl-phenoxy)phenyl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[4-(2-acetyl-5-isopropyl-4-methoxy-phenoxy)-3,5-dibromo-anilino]-2-oxo-acetic acid CAS Name: 2-[4-(2-acetyl-4-methoxy-5-propan-2-ylphenoxy)-3,5-dibromoanilino]-2-oxoacetic acid IUPAC Name: 2-[4-(2-acetyl-4-methoxy-5-propan-2-ylphenoxy)-3,5-dibromoanilino]-2-oxoacetic acid Traditional Name: 2-[4-(2-acetyl-5-isopropyl-4-methoxy-phenoxy)-3,5-dibromo-anilino]-2-keto-acetic acid Formula: C20H19Br2NO6 MolecularWeight: 529.17596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19Br2NO6/c1-9(2)12-7-17(13(10(3)24)8-16(12)28-4)29-18-14(21)5-11(6-15(18)22)23-19(25)20(26)27/h5-9H,1-4H3,(H,23,25)(H,26,27)