3-(cyclobutylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid

Systemtic Name: 3-(cyclobutylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid Openeye Name: 3-(cyclobutylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid CAS Name: 3-(cyclobutylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-2-indolecarboxylic acid IUPAC Name: 3-(cyclobutylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid Traditional Name: 3-(cyclobutylmethyl)-1-[3-(trifluoromethyl)benzyl]indole-2-carboxylic acid Formula: C22H20F3NO2 MolecularWeight: 387.39491

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)CC2=C(N(C3=CC=CC=C32)CC4=CC(=CC=C4)C(F)(F)F)C(=O)O

Isomeric SMILES

C1CC(C1)CC2=C(N(C3=CC=CC=C32)CC4=CC(=CC=C4)C(F)(F)F)C(=O)O

InChI

InChI=1S/C22H20F3NO2/c23-22(24,25)16-8-4-7-15(11-16)13-26-19-10-2-1-9-17(19)18(20(26)21(27)28)12-14-5-3-6-14/h1-2,4,7-11,14H,3,5-6,12-13H2,(H,27,28)