(Z)-4-[2-[2-(octadecanoylamino)ethylamino]ethylamino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (Z)-4-[2-[2-(octadecanoylamino)ethylamino]ethylamino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (Z)-4-[2-[2-(octadecanoylamino)ethylamino]ethylamino]-4-oxo-but-2-enoic acid CAS Name: (Z)-4-oxo-4-[2-[2-(1-oxooctadecylamino)ethylamino]ethylamino]-2-butenoic acid IUPAC Name: (Z)-4-[2-[2-(octadecanoylamino)ethylamino]ethylamino]-4-oxobut-2-enoic acid Traditional Name: (Z)-4-keto-4-[2-(2-stearamidoethylamino)ethylamino]but-2-enoic acid Formula: C26H49N3O4 MolecularWeight: 467.68496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NCCNCCNC(=O)C=CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NCCNCCNC(=O)/C=C\C(=O)O

InChI

InChI=1S/C26H49N3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(30)28-22-20-27-21-23-29-25(31)18-19-26(32)33/h18-19,27H,2-17,20-23H2,1H3,(H,28,30)(H,29,31)(H,32,33)/b19-18-