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

Systemtic Name: 3-[[3,5-bis(bromanyl)-2-methyl-4-(4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]amino]-3-oxidanylidene-propanoic acid Openeye Name: 3-[3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenoxy)-2-methyl-anilino]-3-oxo-propanoic acid CAS Name: 3-[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)-2-methylanilino]-3-oxopropanoic acid IUPAC Name: 3-[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)-2-methylanilino]-3-oxopropanoic acid Traditional Name: 3-[3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenoxy)-2-methyl-anilino]-3-keto-propionic acid Formula: C19H19Br2NO5 MolecularWeight: 501.16586

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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)O)C(C)C)Br

Isomeric SMILES

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

InChI

InChI=1S/C19H19Br2NO5/c1-9(2)12-6-11(4-5-15(12)23)27-19-13(20)7-14(10(3)18(19)21)22-16(24)8-17(25)26/h4-7,9,23H,8H2,1-3H3,(H,22,24)(H,25,26)