tert-butyl 3-(2,2-dimethylpropyl)-5,7-bis(fluoranyl)indole-1-carboxylate

Systemtic Name: tert-butyl 3-(2,2-dimethylpropyl)-5,7-bis(fluoranyl)indole-1-carboxylate Openeye Name: tert-butyl 3-(2,2-dimethylpropyl)-5,7-difluoro-indole-1-carboxylate CAS Name: 3-(2,2-dimethylpropyl)-5,7-difluoro-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(2,2-dimethylpropyl)-5,7-difluoroindole-1-carboxylate Traditional Name: 5,7-difluoro-3-neopentyl-indole-1-carboxylic acid tert-butyl ester Formula: C18H23F2NO2 MolecularWeight: 323.377526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC1=CN(C2=C(C=C(C=C12)F)F)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)CC1=CN(C2=C(C=C(C=C12)F)F)C(=O)OC(C)(C)C

InChI

InChI=1S/C18H23F2NO2/c1-17(2,3)9-11-10-21(16(22)23-18(4,5)6)15-13(11)7-12(19)8-14(15)20/h7-8,10H,9H2,1-6H3