tert-butyl N-(2-fluoranyl-4-imidazol-1-ylcarbonyl-phenyl)-N-hexadecyl-carbamate

Systemtic Name: tert-butyl N-(2-fluoranyl-4-imidazol-1-ylcarbonyl-phenyl)-N-hexadecyl-carbamate Openeye Name: tert-butyl N-[2-fluoro-4-(imidazole-1-carbonyl)phenyl]-N-hexadecyl-carbamate CAS Name: N-[2-fluoro-4-[1-imidazolyl(oxo)methyl]phenyl]-N-hexadecylcarbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-fluoro-4-(imidazole-1-carbonyl)phenyl]-N-hexadecylcarbamate Traditional Name: N-cetyl-N-[2-fluoro-4-(imidazole-1-carbonyl)phenyl]carbamic acid tert-butyl ester Formula: C31H48FN3O3 MolecularWeight: 529.729523

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN(C1=C(C=C(C=C1)C(=O)N2C=CN=C2)F)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCN(C1=C(C=C(C=C1)C(=O)N2C=CN=C2)F)C(=O)OC(C)(C)C

InChI

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