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

Systemtic Name: (E)-but-2-enedioic acid; N4-(5-hexoxy-6-methoxy-4-methyl-quinolin-8-yl)pentane-1,4-diamine Openeye Name: fumaric acid; N4-(5-hexoxy-6-methoxy-4-methyl-8-quinolyl)pentane-1,4-diamine CAS Name: (E)-2-butenedioic acid; N4-(5-hexoxy-6-methoxy-4-methyl-8-quinolinyl)pentane-1,4-diamine IUPAC Name: (E)-but-2-enedioic acid; 4-N-(5-hexoxy-6-methoxy-4-methylquinolin-8-yl)pentane-1,4-diamine Traditional Name: (4-amino-1-methyl-butyl)-(5-hexoxy-6-methoxy-4-methyl-8-quinolyl)amine; fumaric acid Formula: C26H39N3O6 MolecularWeight: 489.60436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C2=NC=CC(=C12)C)NC(C)CCCN)OC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCOC1=C(C=C(C2=NC=CC(=C12)C)NC(C)CCCN)OC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C22H35N3O2.C4H4O4/c1-5-6-7-8-14-27-22-19(26-4)15-18(25-17(3)10-9-12-23)21-20(22)16(2)11-13-24-21;5-3(6)1-2-4(7)8/h11,13,15,17,25H,5-10,12,14,23H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+