2-azanyl-1-[6-(7-phenylhept-1-ynyl)pyridin-2-yl]propane-1,3-diol; (E)-but-2-enedioic acid

Systemtic Name: 2-azanyl-1-[6-(7-phenylhept-1-ynyl)pyridin-2-yl]propane-1,3-diol; (E)-but-2-enedioic acid Openeye Name: 2-amino-1-[6-(7-phenylhept-1-ynyl)-2-pyridyl]propane-1,3-diol; fumaric acid CAS Name: 2-amino-1-[6-(7-phenylhept-1-ynyl)-2-pyridinyl]propane-1,3-diol; (E)-2-butenedioic acid IUPAC Name: 2-amino-1-[6-(7-phenylhept-1-ynyl)pyridin-2-yl]propane-1,3-diol; (E)-but-2-enedioic acid Traditional Name: 2-amino-1-[6-(7-phenylhept-1-ynyl)-2-pyridyl]propane-1,3-diol; fumaric acid Formula: C25H30N2O6 MolecularWeight: 454.5155

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCC#CC2=NC(=CC=C2)C(C(CO)N)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCCC#CC2=NC(=CC=C2)C(C(CO)N)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C21H26N2O2.C4H4O4/c22-19(16-24)21(25)20-15-9-14-18(23-20)13-8-3-1-2-5-10-17-11-6-4-7-12-17;5-3(6)1-2-4(7)8/h4,6-7,9,11-12,14-15,19,21,24-25H,1-3,5,10,16,22H2;1-2H,(H,5,6)(H,7,8)/b;2-1+