8-[[5-[(E)-dodec-1-enyl]pyridin-2-yl]carbonylamino]octanoic acid

Systemtic Name: 8-[[5-[(E)-dodec-1-enyl]pyridin-2-yl]carbonylamino]octanoic acid Openeye Name: 8-[[5-[(E)-dodec-1-enyl]pyridine-2-carbonyl]amino]octanoic acid CAS Name: 8-[[[5-[(E)-dodec-1-enyl]-2-pyridinyl]-oxomethyl]amino]octanoic acid IUPAC Name: 8-[[5-[(E)-dodec-1-enyl]pyridine-2-carbonyl]amino]octanoic acid Traditional Name: 8-[[5-[(E)-dodec-1-enyl]picolinoyl]amino]caprylic acid Formula: C26H42N2O3 MolecularWeight: 430.62328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC=CC1=CN=C(C=C1)C(=O)NCCCCCCCC(=O)O

Isomeric SMILES

CCCCCCCCCC/C=C/C1=CN=C(C=C1)C(=O)NCCCCCCCC(=O)O

InChI

InChI=1S/C26H42N2O3/c1-2-3-4-5-6-7-8-9-11-14-17-23-19-20-24(28-22-23)26(31)27-21-16-13-10-12-15-18-25(29)30/h14,17,19-20,22H,2-13,15-16,18,21H2,1H3,(H,27,31)(H,29,30)/b17-14+