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

Systemtic Name: 3-[[3,5-bis(bromanyl)-4-(3-methanoyl-4-oxidanyl-5-propan-2-yl-phenoxy)-2-methyl-phenyl]amino]-3-oxidanylidene-propanoic acid Openeye Name: 3-[3,5-dibromo-4-(3-formyl-4-hydroxy-5-isopropyl-phenoxy)-2-methyl-anilino]-3-oxo-propanoic acid CAS Name: 3-[3,5-dibromo-4-(3-formyl-4-hydroxy-5-propan-2-ylphenoxy)-2-methylanilino]-3-oxopropanoic acid IUPAC Name: 3-[3,5-dibromo-4-(3-formyl-4-hydroxy-5-propan-2-ylphenoxy)-2-methylanilino]-3-oxopropanoic acid Traditional Name: 3-[3,5-dibromo-4-(3-formyl-4-hydroxy-5-isopropyl-phenoxy)-2-methyl-anilino]-3-keto-propionic acid Formula: C20H19Br2NO6 MolecularWeight: 529.17596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1NC(=O)CC(=O)O)Br)OC2=CC(=C(C(=C2)C=O)O)C(C)C)Br

Isomeric SMILES

CC1=C(C(=C(C=C1NC(=O)CC(=O)O)Br)OC2=CC(=C(C(=C2)C=O)O)C(C)C)Br

InChI

InChI=1S/C20H19Br2NO6/c1-9(2)13-5-12(4-11(8-24)19(13)28)29-20-14(21)6-15(10(3)18(20)22)23-16(25)7-17(26)27/h4-6,8-9,28H,7H2,1-3H3,(H,23,25)(H,26,27)