(E)-4-(2-ethylhexylamino)-4-oxidanylidene-but-2-enoic acid; 2-(2-hydroxyethylamino)ethanol

Systemtic Name: (E)-4-(2-ethylhexylamino)-4-oxidanylidene-but-2-enoic acid; 2-(2-hydroxyethylamino)ethanol Openeye Name: (E)-4-(2-ethylhexylamino)-4-oxo-but-2-enoic acid; 2-(2-hydroxyethylamino)ethanol CAS Name: (E)-4-(2-ethylhexylamino)-4-oxo-2-butenoic acid; 2-(2-hydroxyethylamino)ethanol IUPAC Name: (E)-4-(2-ethylhexylamino)-4-oxobut-2-enoic acid; 2-(2-hydroxyethylamino)ethanol Traditional Name: (E)-4-(2-ethylhexylamino)-4-keto-but-2-enoic acid; 2-(2-hydroxyethylamino)ethanol Formula: C16H32N2O5 MolecularWeight: 332.43568

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)C=CC(=O)O.C(CO)NCCO

Isomeric SMILES

CCCCC(CC)CNC(=O)/C=C/C(=O)O.C(CO)NCCO

InChI

InChI=1S/C12H21NO3.C4H11NO2/c1-3-5-6-10(4-2)9-13-11(14)7-8-12(15)16;6-3-1-5-2-4-7/h7-8,10H,3-6,9H2,1-2H3,(H,13,14)(H,15,16);5-7H,1-4H2/b8-7+;