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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(C(=O)OC(C)(C)C)NC1=C(C=C(C=C1)C(=O)N2C=CN=C2)F

Isomeric SMILES

CCCCCCCCCCCCCCCC(C(=O)OC(C)(C)C)NC1=C(C=C(C=C1)C(=O)N2C=CN=C2)F

InChI

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