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

Systemtic Name: (E)-but-2-enedioic acid; N4-(6-methoxy-4-methyl-5-pentoxy-quinolin-8-yl)pentane-1,4-diamine Openeye Name: fumaric acid; N4-(6-methoxy-4-methyl-5-pentoxy-8-quinolyl)pentane-1,4-diamine CAS Name: (E)-2-butenedioic acid; N4-(6-methoxy-4-methyl-5-pentoxy-8-quinolinyl)pentane-1,4-diamine IUPAC Name: (E)-but-2-enedioic acid; 4-N-(6-methoxy-4-methyl-5-pentoxyquinolin-8-yl)pentane-1,4-diamine Traditional Name: (4-amino-1-methyl-butyl)-(5-amoxy-6-methoxy-4-methyl-8-quinolyl)amine; fumaric acid Formula: C25H37N3O6 MolecularWeight: 475.57778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C2=NC=CC(=C12)C)NC(C)CCCN)OC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCOC1=C(C=C(C2=NC=CC(=C12)C)NC(C)CCCN)OC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C21H33N3O2.C4H4O4/c1-5-6-7-13-26-21-18(25-4)14-17(24-16(3)9-8-11-22)20-19(21)15(2)10-12-23-20;5-3(6)1-2-4(7)8/h10,12,14,16,24H,5-9,11,13,22H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+