4-fluoranyl-2-[6-(hexadecoxycarbonylamino)hexyl]-3-methyl-undecanoic acid

Systemtic Name: 4-fluoranyl-2-[6-(hexadecoxycarbonylamino)hexyl]-3-methyl-undecanoic acid Openeye Name: 4-fluoro-2-[6-(hexadecoxycarbonylamino)hexyl]-3-methyl-undecanoic acid CAS Name: 4-fluoro-2-[6-[[hexadecoxy(oxo)methyl]amino]hexyl]-3-methylundecanoic acid IUPAC Name: 4-fluoro-2-[6-(hexadecoxycarbonylamino)hexyl]-3-methylundecanoic acid Traditional Name: 2-[6-(cetyloxycarbonylamino)hexyl]-4-fluoro-3-methyl-undecanoic acid Formula: C35H68FNO4 MolecularWeight: 585.917123

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)NCCCCCCC(C(C)C(CCCCCCC)F)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)NCCCCCCC(C(C)C(CCCCCCC)F)C(=O)O

InChI

InChI=1S/C35H68FNO4/c1-4-6-8-10-11-12-13-14-15-16-17-18-22-26-30-41-35(40)37-29-25-21-20-23-27-32(34(38)39)31(3)33(36)28-24-19-9-7-5-2/h31-33H,4-30H2,1-3H3,(H,37,40)(H,38,39)