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

Systemtic Name: 2-(3-fluoranyloctan-2-yl)-11-(hexadecoxycarbonylamino)undecanoate Openeye Name: 2-(2-fluoro-1-methyl-heptyl)-11-(hexadecoxycarbonylamino)undecanoate CAS Name: 2-(3-fluorooctan-2-yl)-11-[[hexadecoxy(oxo)methyl]amino]undecanoate IUPAC Name: 2-(3-fluorooctan-2-yl)-11-(hexadecoxycarbonylamino)undecanoate Traditional Name: 11-(cetyloxycarbonylamino)-2-(2-fluoro-1-methyl-heptyl)undecanoate Formula: C36H69FNO4- MolecularWeight: 598.935763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H70FNO4/c1-4-6-8-9-10-11-12-13-14-15-16-20-23-27-31-42-36(41)38-30-26-22-19-17-18-21-25-28-33(35(39)40)32(3)34(37)29-24-7-5-2/h32-34H,4-31H2,1-3H3,(H,38,41)(H,39,40)/p-1