11-(docosoxycarbonylamino)-2-(3-fluoranyloctan-2-yl)undecanoate

Systemtic Name: 11-(docosoxycarbonylamino)-2-(3-fluoranyloctan-2-yl)undecanoate Openeye Name: 11-(docosoxycarbonylamino)-2-(2-fluoro-1-methyl-heptyl)undecanoate CAS Name: 11-[[docosoxy(oxo)methyl]amino]-2-(3-fluorooctan-2-yl)undecanoate IUPAC Name: 11-(docosoxycarbonylamino)-2-(3-fluorooctan-2-yl)undecanoate Traditional Name: 11-(behenyloxycarbonylamino)-2-(2-fluoro-1-methyl-heptyl)undecanoate Formula: C42H81FNO4- MolecularWeight: 683.095243

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCOC(=O)NCCCCCCCCCC(C(C)C(CCCCC)F)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCOC(=O)NCCCCCCCCCC(C(C)C(CCCCC)F)C(=O)[O-]

InChI

InChI=1S/C42H82FNO4/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-29-33-37-48-42(47)44-36-32-28-25-23-24-27-31-34-39(41(45)46)38(3)40(43)35-30-7-5-2/h38-40H,4-37H2,1-3H3,(H,44,47)(H,45,46)/p-1