2-[[(9E,29E)-20-(dimethylaminomethyl)octatriaconta-9,29-dien-19-yl]amino]ethanol

Systemtic Name: 2-[[(9E,29E)-20-(dimethylaminomethyl)octatriaconta-9,29-dien-19-yl]amino]ethanol Openeye Name: 2-[[(E)-2-(dimethylaminomethyl)-1-[(E)-octadec-9-enyl]icos-11-enyl]amino]ethanol CAS Name: 2-[[(9E,29E)-20-(dimethylaminomethyl)octatriaconta-9,29-dien-19-yl]amino]ethanol IUPAC Name: 2-[[(9E,29E)-20-(dimethylaminomethyl)octatriaconta-9,29-dien-19-yl]amino]ethanol Traditional Name: 2-[[(E)-2-(dimethylaminomethyl)-1-[(E)-octadec-9-enyl]eicos-11-enyl]amino]ethanol Formula: C43H86N2O MolecularWeight: 647.15574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCC(CN(C)C)C(CCCCCCCCC=CCCCCCCCC)NCCO

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCC(CN(C)C)C(CCCCCCCC/C=C/CCCCCCCC)NCCO

InChI

InChI=1S/C43H86N2O/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(41-45(3)4)43(44-39-40-46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h19-22,42-44,46H,5-18,23-41H2,1-4H3/b21-19+,22-20+