1-[[(E)-12-oxidanyloctadec-9-enoyl]amino]propyl 2-(dimethylamino)ethanoate

Systemtic Name: 1-[[(E)-12-oxidanyloctadec-9-enoyl]amino]propyl 2-(dimethylamino)ethanoate Openeye Name: 1-[[(E)-12-hydroxyoctadec-9-enoyl]amino]propyl 2-(dimethylamino)acetate CAS Name: 2-(dimethylamino)acetic acid 1-[[(E)-12-hydroxy-1-oxooctadec-9-enyl]amino]propyl ester IUPAC Name: 1-[[(E)-12-hydroxyoctadec-9-enoyl]amino]propyl 2-(dimethylamino)acetate Traditional Name: 2-(dimethylamino)acetic acid 1-[[(E)-12-hydroxyoctadec-9-enoyl]amino]propyl ester Formula: C25H48N2O4 MolecularWeight: 440.65962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCCC(=O)NC(CC)OC(=O)CN(C)C)O

Isomeric SMILES

CCCCCCC(C/C=C/CCCCCCCC(=O)NC(CC)OC(=O)CN(C)C)O

InChI

InChI=1S/C25H48N2O4/c1-5-7-8-15-18-22(28)19-16-13-11-9-10-12-14-17-20-23(29)26-24(6-2)31-25(30)21-27(3)4/h13,16,22,24,28H,5-12,14-15,17-21H2,1-4H3,(H,26,29)/b16-13+