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

Systemtic Name: 1-azanyl-1-(6-dec-1-ynylquinolin-2-yl)propane-1,3-diol; (E)-but-2-enedioic acid Openeye Name: 1-amino-1-(6-dec-1-ynyl-2-quinolyl)propane-1,3-diol; fumaric acid CAS Name: 1-amino-1-(6-dec-1-ynyl-2-quinolinyl)propane-1,3-diol; (E)-2-butenedioic acid IUPAC Name: 1-amino-1-(6-dec-1-ynylquinolin-2-yl)propane-1,3-diol; (E)-but-2-enedioic acid Traditional Name: 1-amino-1-(6-dec-1-ynyl-2-quinolyl)propane-1,3-diol; fumaric acid Formula: C26H34N2O6 MolecularWeight: 470.55796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC#CC1=CC2=C(C=C1)N=C(C=C2)C(CCO)(N)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCC#CC1=CC2=C(C=C1)N=C(C=C2)C(CCO)(N)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C22H30N2O2.C4H4O4/c1-2-3-4-5-6-7-8-9-10-18-11-13-20-19(17-18)12-14-21(24-20)22(23,26)15-16-25;5-3(6)1-2-4(7)8/h11-14,17,25-26H,2-8,15-16,23H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+