1-(4-tert-butylphenyl)-5-oxidanyl-3-[3-(trifluoromethyl)phenoxy]indole-2-carboxylic acid

Systemtic Name: 1-(4-tert-butylphenyl)-5-oxidanyl-3-[3-(trifluoromethyl)phenoxy]indole-2-carboxylic acid Openeye Name: 1-(4-tert-butylphenyl)-5-hydroxy-3-[3-(trifluoromethyl)phenoxy]indole-2-carboxylic acid CAS Name: 1-(4-tert-butylphenyl)-5-hydroxy-3-[3-(trifluoromethyl)phenoxy]-2-indolecarboxylic acid IUPAC Name: 1-(4-tert-butylphenyl)-5-hydroxy-3-[3-(trifluoromethyl)phenoxy]indole-2-carboxylic acid Traditional Name: 1-(4-tert-butylphenyl)-5-hydroxy-3-[3-(trifluoromethyl)phenoxy]indole-2-carboxylic acid Formula: C26H22F3NO4 MolecularWeight: 469.45239

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2C3=C(C=C(C=C3)O)C(=C2C(=O)O)OC4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2C3=C(C=C(C=C3)O)C(=C2C(=O)O)OC4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C26H22F3NO4/c1-25(2,3)15-7-9-17(10-8-15)30-21-12-11-18(31)14-20(21)23(22(30)24(32)33)34-19-6-4-5-16(13-19)26(27,28)29/h4-14,31H,1-3H3,(H,32,33)