(E)-but-2-enedioic acid; 5-[(6,7-dimethoxyquinolin-4-yl)amino]pentan-1-ol

Systemtic Name: (E)-but-2-enedioic acid; 5-[(6,7-dimethoxyquinolin-4-yl)amino]pentan-1-ol Openeye Name: 5-[(6,7-dimethoxy-4-quinolyl)amino]pentan-1-ol; fumaric acid CAS Name: (E)-2-butenedioic acid; 5-[(6,7-dimethoxy-4-quinolinyl)amino]-1-pentanol IUPAC Name: (E)-but-2-enedioic acid; 5-[(6,7-dimethoxyquinolin-4-yl)amino]pentan-1-ol Traditional Name: 5-[(6,7-dimethoxy-4-quinolyl)amino]pentan-1-ol; fumaric acid Formula: C20H26N2O7 MolecularWeight: 406.42964

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1OC)NCCCCCO.C(=CC(=O)O)C(=O)O

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1OC)NCCCCCO.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H22N2O3.C4H4O4/c1-20-15-10-12-13(17-7-4-3-5-9-19)6-8-18-14(12)11-16(15)21-2;5-3(6)1-2-4(7)8/h6,8,10-11,19H,3-5,7,9H2,1-2H3,(H,17,18);1-2H,(H,5,6)(H,7,8)/b;2-1+