ethyl 1-phenyl-5-[[4-[1,1,1-tris(fluoranyl)-2-oxidanyl-butan-2-yl]-1,2,3-triazol-1-yl]methyl]indole-2-carboxylate

Systemtic Name: ethyl 1-phenyl-5-[[4-[1,1,1-tris(fluoranyl)-2-oxidanyl-butan-2-yl]-1,2,3-triazol-1-yl]methyl]indole-2-carboxylate Openeye Name: ethyl 5-[[4-[1-hydroxy-1-(trifluoromethyl)propyl]triazol-1-yl]methyl]-1-phenyl-indole-2-carboxylate CAS Name: 1-phenyl-5-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)-1-triazolyl]methyl]-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-phenyl-5-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]indole-2-carboxylate Traditional Name: 5-[[4-[1-hydroxy-1-(trifluoromethyl)propyl]triazol-1-yl]methyl]-1-phenyl-indole-2-carboxylic acid ethyl ester Formula: C24H23F3N4O3 MolecularWeight: 472.45963

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CN(N=N1)CC2=CC3=C(C=C2)N(C(=C3)C(=O)OCC)C4=CC=CC=C4)(C(F)(F)F)O

Isomeric SMILES

CCC(C1=CN(N=N1)CC2=CC3=C(C=C2)N(C(=C3)C(=O)OCC)C4=CC=CC=C4)(C(F)(F)F)O

InChI

InChI=1S/C24H23F3N4O3/c1-3-23(33,24(25,26)27)21-15-30(29-28-21)14-16-10-11-19-17(12-16)13-20(22(32)34-4-2)31(19)18-8-6-5-7-9-18/h5-13,15,33H,3-4,14H2,1-2H3