tert-butyl 3-[2-azido-1,1-bis(fluoranyl)ethyl]-5-phenylmethoxy-indole-1-carboxylate

Systemtic Name: tert-butyl 3-[2-azido-1,1-bis(fluoranyl)ethyl]-5-phenylmethoxy-indole-1-carboxylate Openeye Name: tert-butyl 3-(2-azido-1,1-difluoro-ethyl)-5-benzyloxy-indole-1-carboxylate CAS Name: 3-(2-azido-1,1-difluoroethyl)-5-phenylmethoxy-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(2-azido-1,1-difluoroethyl)-5-phenylmethoxyindole-1-carboxylate Traditional Name: 3-(2-azido-1,1-difluoro-ethyl)-5-benzoxy-indole-1-carboxylic acid tert-butyl ester Formula: C22H22F2N4O3 MolecularWeight: 428.431886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=C1C=CC(=C2)OCC3=CC=CC=C3)C(CN=[N+]=[N-])(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=C1C=CC(=C2)OCC3=CC=CC=C3)C(CN=[N+]=[N-])(F)F

InChI

InChI=1S/C22H22F2N4O3/c1-21(2,3)31-20(29)28-12-18(22(23,24)14-26-27-25)17-11-16(9-10-19(17)28)30-13-15-7-5-4-6-8-15/h4-12H,13-14H2,1-3H3