(E)-but-2-enedioic acid; 2-[1,1-diphenylbutan-2-yl(2-hydroxyethyl)amino]ethanol

Systemtic Name: (E)-but-2-enedioic acid; 2-[1,1-diphenylbutan-2-yl(2-hydroxyethyl)amino]ethanol Openeye Name: 2-[1-benzhydrylpropyl(2-hydroxyethyl)amino]ethanol; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-[1,1-diphenylbutan-2-yl(2-hydroxyethyl)amino]ethanol IUPAC Name: (E)-but-2-enedioic acid; 2-[1,1-diphenylbutan-2-yl(2-hydroxyethyl)amino]ethanol Traditional Name: 2-[1-benzhydrylpropyl(2-hydroxyethyl)amino]ethanol; fumaric acid Formula: C24H31NO6 MolecularWeight: 429.50604

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1=CC=CC=C1)C2=CC=CC=C2)N(CCO)CCO.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCC(C(C1=CC=CC=C1)C2=CC=CC=C2)N(CCO)CCO.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H27NO2.C4H4O4/c1-2-19(21(13-15-22)14-16-23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18;5-3(6)1-2-4(7)8/h3-12,19-20,22-23H,2,13-16H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+