tert-butyl 3-[2,2-bis(fluoranyl)-3-oxidanyl-propyl]-5-(1,2,4-triazol-4-yl)indole-1-carboxylate

Systemtic Name: tert-butyl 3-[2,2-bis(fluoranyl)-3-oxidanyl-propyl]-5-(1,2,4-triazol-4-yl)indole-1-carboxylate Openeye Name: tert-butyl 3-(2,2-difluoro-3-hydroxy-propyl)-5-(1,2,4-triazol-4-yl)indole-1-carboxylate CAS Name: 3-(2,2-difluoro-3-hydroxypropyl)-5-(1,2,4-triazol-4-yl)-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(2,2-difluoro-3-hydroxypropyl)-5-(1,2,4-triazol-4-yl)indole-1-carboxylate Traditional Name: 3-(2,2-difluoro-3-hydroxy-propyl)-5-(1,2,4-triazol-4-yl)indole-1-carboxylic acid tert-butyl ester Formula: C18H20F2N4O3 MolecularWeight: 378.373206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=C1C=CC(=C2)N3C=NN=C3)CC(CO)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=C1C=CC(=C2)N3C=NN=C3)CC(CO)(F)F

InChI

InChI=1S/C18H20F2N4O3/c1-17(2,3)27-16(26)24-8-12(7-18(19,20)9-25)14-6-13(4-5-15(14)24)23-10-21-22-11-23/h4-6,8,10-11,25H,7,9H2,1-3H3