5-[2,4-bis(2-methylpropoxy)phenyl]carbonyl-3-bromanyl-1-(2-methylpropyl)indole-2-carboxylic acid

Systemtic Name: 5-[2,4-bis(2-methylpropoxy)phenyl]carbonyl-3-bromanyl-1-(2-methylpropyl)indole-2-carboxylic acid Openeye Name: 3-bromo-5-(2,4-diisobutoxybenzoyl)-1-isobutyl-indole-2-carboxylic acid CAS Name: 5-[[2,4-bis(2-methylpropoxy)phenyl]-oxomethyl]-3-bromo-1-(2-methylpropyl)-2-indolecarboxylic acid IUPAC Name: 5-[2,4-bis(2-methylpropoxy)benzoyl]-3-bromo-1-(2-methylpropyl)indole-2-carboxylic acid Traditional Name: 3-bromo-5-(2,4-diisobutoxybenzoyl)-1-isobutyl-indole-2-carboxylic acid Formula: C28H34BrNO5 MolecularWeight: 544.47726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C=C(C=C2)C(=O)C3=C(C=C(C=C3)OCC(C)C)OCC(C)C)C(=C1C(=O)O)Br

Isomeric SMILES

CC(C)CN1C2=C(C=C(C=C2)C(=O)C3=C(C=C(C=C3)OCC(C)C)OCC(C)C)C(=C1C(=O)O)Br

InChI

InChI=1S/C28H34BrNO5/c1-16(2)13-30-23-10-7-19(11-22(23)25(29)26(30)28(32)33)27(31)21-9-8-20(34-14-17(3)4)12-24(21)35-15-18(5)6/h7-12,16-18H,13-15H2,1-6H3,(H,32,33)