ethyl 3-(2-phenylethynyl)-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylate

Systemtic Name: ethyl 3-(2-phenylethynyl)-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylate Openeye Name: ethyl 3-(2-phenylethynyl)-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylate CAS Name: 3-(2-phenylethynyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-phenylethynyl)-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylate Traditional Name: 3-(2-phenylethynyl)-1-[3-(trifluoromethyl)benzyl]indole-2-carboxylic acid ethyl ester Formula: C27H20F3NO2 MolecularWeight: 447.44841

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N1CC3=CC(=CC=C3)C(F)(F)F)C#CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N1CC3=CC(=CC=C3)C(F)(F)F)C#CC4=CC=CC=C4

InChI

InChI=1S/C27H20F3NO2/c1-2-33-26(32)25-23(16-15-19-9-4-3-5-10-19)22-13-6-7-14-24(22)31(25)18-20-11-8-12-21(17-20)27(28,29)30/h3-14,17H,2,18H2,1H3