2-azanyl-1-(6-dec-1-ynylpyridin-2-yl)propane-1,3-diol; (E)-but-2-enedioic acid

Systemtic Name: 2-azanyl-1-(6-dec-1-ynylpyridin-2-yl)propane-1,3-diol; (E)-but-2-enedioic acid Openeye Name: 2-amino-1-(6-dec-1-ynyl-2-pyridyl)propane-1,3-diol; fumaric acid CAS Name: 2-amino-1-(6-dec-1-ynyl-2-pyridinyl)propane-1,3-diol; (E)-2-butenedioic acid IUPAC Name: 2-amino-1-(6-dec-1-ynylpyridin-2-yl)propane-1,3-diol; (E)-but-2-enedioic acid Traditional Name: 2-amino-1-(6-dec-1-ynyl-2-pyridyl)propane-1,3-diol; fumaric acid Formula: C22H32N2O6 MolecularWeight: 420.49928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC#CC1=NC(=CC=C1)C(C(CO)N)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCC#CC1=NC(=CC=C1)C(C(CO)N)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H28N2O2.C4H4O4/c1-2-3-4-5-6-7-8-9-11-15-12-10-13-17(20-15)18(22)16(19)14-21;5-3(6)1-2-4(7)8/h10,12-13,16,18,21-22H,2-8,14,19H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+