tert-butyl 2-[[4-[butanoyl(methyl)amino]phenoxy]methyl]-6-fluoranyl-indole-1-carboxylate

Systemtic Name: tert-butyl 2-[[4-[butanoyl(methyl)amino]phenoxy]methyl]-6-fluoranyl-indole-1-carboxylate Openeye Name: tert-butyl 2-[[4-[butanoyl(methyl)amino]phenoxy]methyl]-6-fluoro-indole-1-carboxylate CAS Name: 6-fluoro-2-[[4-[methyl(1-oxobutyl)amino]phenoxy]methyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[4-[butanoyl(methyl)amino]phenoxy]methyl]-6-fluoroindole-1-carboxylate Traditional Name: 2-[[4-[butyryl(methyl)amino]phenoxy]methyl]-6-fluoro-indole-1-carboxylic acid tert-butyl ester Formula: C25H29FN2O4 MolecularWeight: 440.507163

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N(C)C1=CC=C(C=C1)OCC2=CC3=C(N2C(=O)OC(C)(C)C)C=C(C=C3)F

Isomeric SMILES

CCCC(=O)N(C)C1=CC=C(C=C1)OCC2=CC3=C(N2C(=O)OC(C)(C)C)C=C(C=C3)F

InChI

InChI=1S/C25H29FN2O4/c1-6-7-23(29)27(5)19-10-12-21(13-11-19)31-16-20-14-17-8-9-18(26)15-22(17)28(20)24(30)32-25(2,3)4/h8-15H,6-7,16H2,1-5H3