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

Systemtic Name: (E)-but-2-enedioic acid; N4-(5-decoxy-6-methoxy-quinolin-8-yl)pentane-1,4-diamine Openeye Name: N4-(5-decoxy-6-methoxy-8-quinolyl)pentane-1,4-diamine; fumaric acid CAS Name: (E)-2-butenedioic acid; N4-(5-decoxy-6-methoxy-8-quinolinyl)pentane-1,4-diamine IUPAC Name: (E)-but-2-enedioic acid; 4-N-(5-decoxy-6-methoxyquinolin-8-yl)pentane-1,4-diamine Traditional Name: (4-amino-1-methyl-butyl)-(5-decoxy-6-methoxy-8-quinolyl)amine; fumaric acid Formula: C29H45N3O6 MolecularWeight: 531.6841

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C=C(C2=C1C=CC=N2)NC(C)CCCN)OC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCOC1=C(C=C(C2=C1C=CC=N2)NC(C)CCCN)OC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C25H41N3O2.C4H4O4/c1-4-5-6-7-8-9-10-11-18-30-25-21-15-13-17-27-24(21)22(19-23(25)29-3)28-20(2)14-12-16-26;5-3(6)1-2-4(7)8/h13,15,17,19-20,28H,4-12,14,16,18,26H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+