2-[5-tert-butyl-2-methyl-1-[4-(trifluoromethyloxy)phenyl]carbonyl-indol-3-yl]ethanoic acid

Systemtic Name: 2-[5-tert-butyl-2-methyl-1-[4-(trifluoromethyloxy)phenyl]carbonyl-indol-3-yl]ethanoic acid Openeye Name: 2-[5-tert-butyl-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid CAS Name: 2-[5-tert-butyl-2-methyl-1-[oxo-[4-(trifluoromethoxy)phenyl]methyl]-3-indolyl]acetic acid IUPAC Name: 2-[5-tert-butyl-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid Traditional Name: 2-[5-tert-butyl-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid Formula: C23H22F3NO4 MolecularWeight: 433.42029

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)OC(F)(F)F)C=CC(=C2)C(C)(C)C)CC(=O)O

Isomeric SMILES

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)OC(F)(F)F)C=CC(=C2)C(C)(C)C)CC(=O)O

InChI

InChI=1S/C23H22F3NO4/c1-13-17(12-20(28)29)18-11-15(22(2,3)4)7-10-19(18)27(13)21(30)14-5-8-16(9-6-14)31-23(24,25)26/h5-11H,12H2,1-4H3,(H,28,29)