(E)-but-2-enedioic acid; 2-[3-(tert-butylamino)-2-oxidanyl-propoxy]-4,5-dimethyl-pyridine-3-carbonitrile

Systemtic Name: (E)-but-2-enedioic acid; 2-[3-(tert-butylamino)-2-oxidanyl-propoxy]-4,5-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[3-(tert-butylamino)-2-hydroxy-propoxy]-4,5-dimethyl-pyridine-3-carbonitrile; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-[3-(tert-butylamino)-2-hydroxypropoxy]-4,5-dimethyl-3-pyridinecarbonitrile IUPAC Name: (E)-but-2-enedioic acid; 2-[3-(tert-butylamino)-2-hydroxypropoxy]-4,5-dimethylpyridine-3-carbonitrile Traditional Name: 2-[3-(tert-butylamino)-2-hydroxy-propoxy]-4,5-dimethyl-nicotinonitrile; fumaric acid Formula: C19H27N3O6 MolecularWeight: 393.43418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=C1C)C#N)OCC(CNC(C)(C)C)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CN=C(C(=C1C)C#N)OCC(CNC(C)(C)C)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H23N3O2.C4H4O4/c1-10-7-17-14(13(6-16)11(10)2)20-9-12(19)8-18-15(3,4)5;5-3(6)1-2-4(7)8/h7,12,18-19H,8-9H2,1-5H3;1-2H,(H,5,6)(H,7,8)/b;2-1+