1-(4-tert-butylphenyl)-3-(4-chloranylphenoxy)-6-(trifluoromethyloxy)indole-2-carboxylic acid

Systemtic Name: 1-(4-tert-butylphenyl)-3-(4-chloranylphenoxy)-6-(trifluoromethyloxy)indole-2-carboxylic acid Openeye Name: 1-(4-tert-butylphenyl)-3-(4-chlorophenoxy)-6-(trifluoromethoxy)indole-2-carboxylic acid CAS Name: 1-(4-tert-butylphenyl)-3-(4-chlorophenoxy)-6-(trifluoromethoxy)-2-indolecarboxylic acid IUPAC Name: 1-(4-tert-butylphenyl)-3-(4-chlorophenoxy)-6-(trifluoromethoxy)indole-2-carboxylic acid Traditional Name: 1-(4-tert-butylphenyl)-3-(4-chlorophenoxy)-6-(trifluoromethoxy)indole-2-carboxylic acid Formula: C26H21ClF3NO4 MolecularWeight: 503.89745

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H21ClF3NO4/c1-25(2,3)15-4-8-17(9-5-15)31-21-14-19(35-26(28,29)30)12-13-20(21)23(22(31)24(32)33)34-18-10-6-16(27)7-11-18/h4-14H,1-3H3,(H,32,33)