tert-butyl 17-[[2-fluoranyl-4-(1H-imidazol-2-ylcarbonyl)phenyl]amino]heptadecanoate

Systemtic Name: tert-butyl 17-[[2-fluoranyl-4-(1H-imidazol-2-ylcarbonyl)phenyl]amino]heptadecanoate Openeye Name: tert-butyl 17-[2-fluoro-4-(1H-imidazole-2-carbonyl)anilino]heptadecanoate CAS Name: 17-[2-fluoro-4-[1H-imidazol-2-yl(oxo)methyl]anilino]heptadecanoic acid tert-butyl ester IUPAC Name: tert-butyl 17-[2-fluoro-4-(1H-imidazole-2-carbonyl)anilino]heptadecanoate Traditional Name: 17-[2-fluoro-4-(1H-imidazole-2-carbonyl)anilino]heptadecanoic acid tert-butyl ester Formula: C31H48FN3O3 MolecularWeight: 529.729523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCCCCCCCCCCCCCCCNC1=C(C=C(C=C1)C(=O)C2=NC=CN2)F

Isomeric SMILES

CC(C)(C)OC(=O)CCCCCCCCCCCCCCCCNC1=C(C=C(C=C1)C(=O)C2=NC=CN2)F

InChI

InChI=1S/C31H48FN3O3/c1-31(2,3)38-28(36)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-21-33-27-20-19-25(24-26(27)32)29(37)30-34-22-23-35-30/h19-20,22-24,33H,4-18,21H2,1-3H3,(H,34,35)