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

Systemtic Name: 1-[[3,5-bis(bromanyl)-4-(4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid Openeye Name: 1-[[3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenoxy)phenyl]carbamoyl]cyclobutanecarboxylic acid CAS Name: 1-[[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)anilino]-oxomethyl]-1-cyclobutanecarboxylic acid IUPAC Name: 1-[[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid Traditional Name: 1-[[3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenoxy)phenyl]carbamoyl]cyclobutanecarboxylic acid 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)NC(=O)C3(CCC3)C(=O)O)Br)O

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)OC2=C(C=C(C=C2Br)NC(=O)C3(CCC3)C(=O)O)Br)O

InChI

InChI=1S/C21H21Br2NO5/c1-11(2)14-10-13(4-5-17(14)25)29-18-15(22)8-12(9-16(18)23)24-19(26)21(20(27)28)6-3-7-21/h4-5,8-11,25H,3,6-7H2,1-2H3,(H,24,26)(H,27,28)