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

Systemtic Name: 1-(4-tert-butylphenyl)-5-ethoxy-3-[3-(trifluoromethyl)phenoxy]indole-2-carboxylic acid Openeye Name: 1-(4-tert-butylphenyl)-5-ethoxy-3-[3-(trifluoromethyl)phenoxy]indole-2-carboxylic acid CAS Name: 1-(4-tert-butylphenyl)-5-ethoxy-3-[3-(trifluoromethyl)phenoxy]-2-indolecarboxylic acid IUPAC Name: 1-(4-tert-butylphenyl)-5-ethoxy-3-[3-(trifluoromethyl)phenoxy]indole-2-carboxylic acid Traditional Name: 1-(4-tert-butylphenyl)-5-ethoxy-3-[3-(trifluoromethyl)phenoxy]indole-2-carboxylic acid Formula: C28H26F3NO4 MolecularWeight: 497.50555

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=C2OC3=CC=CC(=C3)C(F)(F)F)C(=O)O)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=C2OC3=CC=CC(=C3)C(F)(F)F)C(=O)O)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C28H26F3NO4/c1-5-35-20-13-14-23-22(16-20)25(36-21-8-6-7-18(15-21)28(29,30)31)24(26(33)34)32(23)19-11-9-17(10-12-19)27(2,3)4/h6-16H,5H2,1-4H3,(H,33,34)