2-(2-hydroxyethylamino)ethanol; (Z)-4-[2-[2-hydroxyethyl-[(E)-octadec-9-enoyl]amino]ethoxy]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: 2-(2-hydroxyethylamino)ethanol; (Z)-4-[2-[2-hydroxyethyl-[(E)-octadec-9-enoyl]amino]ethoxy]-4-oxidanylidene-but-2-enoic acid Openeye Name: 2-(2-hydroxyethylamino)ethanol; (Z)-4-[2-[2-hydroxyethyl-[(E)-octadec-9-enoyl]amino]ethoxy]-4-oxo-but-2-enoic acid CAS Name: 2-(2-hydroxyethylamino)ethanol; (Z)-4-[2-[2-hydroxyethyl-[(E)-1-oxooctadec-9-enyl]amino]ethoxy]-4-oxo-2-butenoic acid IUPAC Name: 2-(2-hydroxyethylamino)ethanol; (Z)-4-[2-[2-hydroxyethyl-[(E)-octadec-9-enoyl]amino]ethoxy]-4-oxobut-2-enoic acid Traditional Name: 2-(2-hydroxyethylamino)ethanol; (Z)-4-[2-[2-hydroxyethyl-[(E)-octadec-9-enoyl]amino]ethoxy]-4-keto-but-2-enoic acid Formula: C30H56N2O8 MolecularWeight: 572.77424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)N(CCO)CCOC(=O)C=CC(=O)O.C(CO)NCCO

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)N(CCO)CCOC(=O)/C=C\C(=O)O.C(CO)NCCO

InChI

InChI=1S/C26H45NO6.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(29)27(20-22-28)21-23-33-26(32)19-18-25(30)31;6-3-1-5-2-4-7/h9-10,18-19,28H,2-8,11-17,20-23H2,1H3,(H,30,31);5-7H,1-4H2/b10-9+,19-18-;