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

Systemtic Name: (E)-but-2-enedioic acid; N4-(5-butoxy-6-methoxy-quinolin-8-yl)pentane-1,4-diamine Openeye Name: N4-(5-butoxy-6-methoxy-8-quinolyl)pentane-1,4-diamine; fumaric acid CAS Name: (E)-2-butenedioic acid; N4-(5-butoxy-6-methoxy-8-quinolinyl)pentane-1,4-diamine IUPAC Name: (E)-but-2-enedioic acid; 4-N-(5-butoxy-6-methoxyquinolin-8-yl)pentane-1,4-diamine Traditional Name: (4-amino-1-methyl-butyl)-(5-butoxy-6-methoxy-8-quinolyl)amine; fumaric acid Formula: C23H33N3O6 MolecularWeight: 447.52462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C2=C1C=CC=N2)NC(C)CCCN)OC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCOC1=C(C=C(C2=C1C=CC=N2)NC(C)CCCN)OC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H29N3O2.C4H4O4/c1-4-5-12-24-19-15-9-7-11-21-18(15)16(13-17(19)23-3)22-14(2)8-6-10-20;5-3(6)1-2-4(7)8/h7,9,11,13-14,22H,4-6,8,10,12,20H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+