4-fluoranyl-2-(hexadecoxycarbonylamino)-3-methyl-nonanoic acid

Systemtic Name: 4-fluoranyl-2-(hexadecoxycarbonylamino)-3-methyl-nonanoic acid Openeye Name: 4-fluoro-2-(hexadecoxycarbonylamino)-3-methyl-nonanoic acid CAS Name: 4-fluoro-2-[[hexadecoxy(oxo)methyl]amino]-3-methylnonanoic acid IUPAC Name: 4-fluoro-2-(hexadecoxycarbonylamino)-3-methylnonanoic acid Traditional Name: 2-(cetyloxycarbonylamino)-4-fluoro-3-methyl-pelargonic acid Formula: C27H52FNO4 MolecularWeight: 473.704483

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)NC(C(C)C(CCCCC)F)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)NC(C(C)C(CCCCC)F)C(=O)O

InChI

InChI=1S/C27H52FNO4/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-20-22-33-27(32)29-25(26(30)31)23(3)24(28)21-19-7-5-2/h23-25H,4-22H2,1-3H3,(H,29,32)(H,30,31)