N-methylmethanamine; 1-[[(E)-12-oxidanyloctadec-9-enoyl]amino]propyl 2-oxidanylpropanoate

Systemtic Name: N-methylmethanamine; 1-[[(E)-12-oxidanyloctadec-9-enoyl]amino]propyl 2-oxidanylpropanoate Openeye Name: 1-[[(E)-12-hydroxyoctadec-9-enoyl]amino]propyl 2-hydroxypropanoate; N-methylmethanamine CAS Name: 2-hydroxypropanoic acid 1-[[(E)-12-hydroxy-1-oxooctadec-9-enyl]amino]propyl ester; N-methylmethanamine IUPAC Name: 1-[[(E)-12-hydroxyoctadec-9-enoyl]amino]propyl 2-hydroxypropanoate; N-methylmethanamine Traditional Name: dimethylamine; 2-hydroxypropionic acid 1-[[(E)-12-hydroxyoctadec-9-enoyl]amino]propyl ester Formula: C26H52N2O5 MolecularWeight: 472.70148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCCC(=O)NC(CC)OC(=O)C(C)O)O.CNC

Isomeric SMILES

CCCCCCC(C/C=C/CCCCCCCC(=O)NC(CC)OC(=O)C(C)O)O.CNC

InChI

InChI=1S/C24H45NO5.C2H7N/c1-4-6-7-14-17-21(27)18-15-12-10-8-9-11-13-16-19-22(28)25-23(5-2)30-24(29)20(3)26;1-3-2/h12,15,20-21,23,26-27H,4-11,13-14,16-19H2,1-3H3,(H,25,28);3H,1-2H3/b15-12+;