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

Systemtic Name: 1-(4-tert-butylphenyl)-5-chloranyl-3-[3-(trifluoromethyl)phenoxy]indole-2-carboxylic acid Openeye Name: 1-(4-tert-butylphenyl)-5-chloro-3-[3-(trifluoromethyl)phenoxy]indole-2-carboxylic acid CAS Name: 1-(4-tert-butylphenyl)-5-chloro-3-[3-(trifluoromethyl)phenoxy]-2-indolecarboxylic acid IUPAC Name: 1-(4-tert-butylphenyl)-5-chloro-3-[3-(trifluoromethyl)phenoxy]indole-2-carboxylic acid Traditional Name: 1-(4-tert-butylphenyl)-5-chloro-3-[3-(trifluoromethyl)phenoxy]indole-2-carboxylic acid Formula: C26H21ClF3NO3 MolecularWeight: 487.89805

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H21ClF3NO3/c1-25(2,3)15-7-10-18(11-8-15)31-21-12-9-17(27)14-20(21)23(22(31)24(32)33)34-19-6-4-5-16(13-19)26(28,29)30/h4-14H,1-3H3,(H,32,33)