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

Systemtic Name: (E)-but-2-enedioic acid; N4-(2-ethenyl-6-methoxy-quinolin-8-yl)pentane-1,4-diamine Openeye Name: fumaric acid; N4-(6-methoxy-2-vinyl-8-quinolyl)pentane-1,4-diamine CAS Name: (E)-2-butenedioic acid; N4-(2-ethenyl-6-methoxy-8-quinolinyl)pentane-1,4-diamine IUPAC Name: (E)-but-2-enedioic acid; 4-N-(2-ethenyl-6-methoxyquinolin-8-yl)pentane-1,4-diamine Traditional Name: (4-amino-1-methyl-butyl)-(6-methoxy-2-vinyl-8-quinolyl)amine; fumaric acid Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCN)NC1=C2C(=CC(=C1)OC)C=CC(=N2)C=C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(CCCN)NC1=C2C(=CC(=C1)OC)C=CC(=N2)C=C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H23N3O.C4H4O4/c1-4-14-8-7-13-10-15(21-3)11-16(17(13)20-14)19-12(2)6-5-9-18;5-3(6)1-2-4(7)8/h4,7-8,10-12,19H,1,5-6,9,18H2,2-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+