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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C(C)C)OC2=C(C=C(C(=C2Br)C)NC(=O)CC(=O)O)Br

Isomeric SMILES

CC1=CC(=CC(=C1O)C(C)C)OC2=C(C=C(C(=C2Br)C)NC(=O)CC(=O)O)Br

InChI

InChI=1S/C20H21Br2NO5/c1-9(2)13-6-12(5-10(3)19(13)27)28-20-14(21)7-15(11(4)18(20)22)23-16(24)8-17(25)26/h5-7,9,27H,8H2,1-4H3,(H,23,24)(H,25,26)