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

Systemtic Name: 3-[[3,5-bis(bromanyl)-4-(3-ethyl-4-oxidanyl-5-propan-2-yl-phenoxy)-2-methyl-phenyl]amino]-3-oxidanylidene-propanoic acid Openeye Name: 3-[3,5-dibromo-4-(3-ethyl-4-hydroxy-5-isopropyl-phenoxy)-2-methyl-anilino]-3-oxo-propanoic acid CAS Name: 3-[3,5-dibromo-4-(3-ethyl-4-hydroxy-5-propan-2-ylphenoxy)-2-methylanilino]-3-oxopropanoic acid IUPAC Name: 3-[3,5-dibromo-4-(3-ethyl-4-hydroxy-5-propan-2-ylphenoxy)-2-methylanilino]-3-oxopropanoic acid Traditional Name: 3-[3,5-dibromo-4-(3-ethyl-4-hydroxy-5-isopropyl-phenoxy)-2-methyl-anilino]-3-keto-propionic acid Formula: C21H23Br2NO5 MolecularWeight: 529.21902

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1O)C(C)C)OC2=C(C=C(C(=C2Br)C)NC(=O)CC(=O)O)Br

Isomeric SMILES

CCC1=CC(=CC(=C1O)C(C)C)OC2=C(C=C(C(=C2Br)C)NC(=O)CC(=O)O)Br

InChI

InChI=1S/C21H23Br2NO5/c1-5-12-6-13(7-14(10(2)3)20(12)28)29-21-15(22)8-16(11(4)19(21)23)24-17(25)9-18(26)27/h6-8,10,28H,5,9H2,1-4H3,(H,24,25)(H,26,27)