(E)-but-2-enedioic acid; N4-(6-methoxy-5-octoxy-quinolin-8-yl)pentane-1,4-diamine

Systemtic Name: (E)-but-2-enedioic acid; N4-(6-methoxy-5-octoxy-quinolin-8-yl)pentane-1,4-diamine Openeye Name: fumaric acid; N4-(6-methoxy-5-octoxy-8-quinolyl)pentane-1,4-diamine CAS Name: (E)-2-butenedioic acid; N4-(6-methoxy-5-octoxy-8-quinolinyl)pentane-1,4-diamine IUPAC Name: (E)-but-2-enedioic acid; 4-N-(6-methoxy-5-octoxyquinolin-8-yl)pentane-1,4-diamine Traditional Name: (4-amino-1-methyl-butyl)-(6-methoxy-5-octoxy-8-quinolyl)amine; fumaric acid Formula: C27H41N3O6 MolecularWeight: 503.63094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C2=C1C=CC=N2)NC(C)CCCN)OC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C2=C1C=CC=N2)NC(C)CCCN)OC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C23H37N3O2.C4H4O4/c1-4-5-6-7-8-9-16-28-23-19-13-11-15-25-22(19)20(17-21(23)27-3)26-18(2)12-10-14-24;5-3(6)1-2-4(7)8/h11,13,15,17-18,26H,4-10,12,14,16,24H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+