6-(hexadecoxycarbonylamino)octanoic acid

Systemtic Name: 6-(hexadecoxycarbonylamino)octanoic acid Openeye Name: 6-(hexadecoxycarbonylamino)octanoic acid CAS Name: 6-[[hexadecoxy(oxo)methyl]amino]octanoic acid IUPAC Name: 6-(hexadecoxycarbonylamino)octanoic acid Traditional Name: 6-(cetyloxycarbonylamino)caprylic acid Formula: C25H49NO4 MolecularWeight: 427.66086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)NC(CC)CCCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)NC(CC)CCCCC(=O)O

InChI

InChI=1S/C25H49NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-22-30-25(29)26-23(4-2)20-17-18-21-24(27)28/h23H,3-22H2,1-2H3,(H,26,29)(H,27,28)