2-[bis(2-hydroxyethyl)amino]ethanol; (Z)-4-(2-ethylhexylamino)-4-oxidanylidene-but-2-enoic acid

Systemtic Name: 2-[bis(2-hydroxyethyl)amino]ethanol; (Z)-4-(2-ethylhexylamino)-4-oxidanylidene-but-2-enoic acid Openeye Name: 2-[bis(2-hydroxyethyl)amino]ethanol; (Z)-4-(2-ethylhexylamino)-4-oxo-but-2-enoic acid CAS Name: 2-[bis(2-hydroxyethyl)amino]ethanol; (Z)-4-(2-ethylhexylamino)-4-oxo-2-butenoic acid IUPAC Name: 2-[bis(2-hydroxyethyl)amino]ethanol; (Z)-4-(2-ethylhexylamino)-4-oxobut-2-enoic acid Traditional Name: 2-[bis(2-hydroxyethyl)amino]ethanol; (Z)-4-(2-ethylhexylamino)-4-keto-but-2-enoic acid Formula: C18H36N2O6 MolecularWeight: 376.48824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)C=CC(=O)O.C(CO)N(CCO)CCO

Isomeric SMILES

CCCCC(CC)CNC(=O)/C=C\C(=O)O.C(CO)N(CCO)CCO

InChI

InChI=1S/C12H21NO3.C6H15NO3/c1-3-5-6-10(4-2)9-13-11(14)7-8-12(15)16;8-4-1-7(2-5-9)3-6-10/h7-8,10H,3-6,9H2,1-2H3,(H,13,14)(H,15,16);8-10H,1-6H2/b8-7-;