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

Systemtic Name: tert-butyl 3-[2-acetamido-1,1-bis(fluoranyl)ethyl]-5-methoxy-indole-1-carboxylate Openeye Name: tert-butyl 3-(2-acetamido-1,1-difluoro-ethyl)-5-methoxy-indole-1-carboxylate CAS Name: 3-(2-acetamido-1,1-difluoroethyl)-5-methoxy-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(2-acetamido-1,1-difluoroethyl)-5-methoxyindole-1-carboxylate Traditional Name: 3-(2-acetamido-1,1-difluoro-ethyl)-5-methoxy-indole-1-carboxylic acid tert-butyl ester Formula: C18H22F2N2O4 MolecularWeight: 368.375086

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC(C1=CN(C2=C1C=C(C=C2)OC)C(=O)OC(C)(C)C)(F)F

Isomeric SMILES

CC(=O)NCC(C1=CN(C2=C1C=C(C=C2)OC)C(=O)OC(C)(C)C)(F)F

InChI

InChI=1S/C18H22F2N2O4/c1-11(23)21-10-18(19,20)14-9-22(16(24)26-17(2,3)4)15-7-6-12(25-5)8-13(14)15/h6-9H,10H2,1-5H3,(H,21,23)