1-[3,5-bis(bromanyl)-4-(4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]carbonylpyrrolidine-2-carboxylic acid

Systemtic Name: 1-[3,5-bis(bromanyl)-4-(4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]carbonylpyrrolidine-2-carboxylic acid Openeye Name: 1-[3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenoxy)benzoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)benzoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenoxy)benzoyl]proline Formula: C21H21Br2NO5 MolecularWeight: 527.20314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)OC2=C(C=C(C=C2Br)C(=O)N3CCCC3C(=O)O)Br)O

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)OC2=C(C=C(C=C2Br)C(=O)N3CCCC3C(=O)O)Br)O

InChI

InChI=1S/C21H21Br2NO5/c1-11(2)14-10-13(5-6-18(14)25)29-19-15(22)8-12(9-16(19)23)20(26)24-7-3-4-17(24)21(27)28/h5-6,8-11,17,25H,3-4,7H2,1-2H3,(H,27,28)