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

Systemtic Name: (Z)-but-2-enedioic acid; N4-(5-fluoranyl-6-methoxy-4-methyl-quinolin-8-yl)pentane-1,4-diamine Openeye Name: N4-(5-fluoro-6-methoxy-4-methyl-8-quinolyl)pentane-1,4-diamine; maleic acid CAS Name: (Z)-2-butenedioic acid; N4-(5-fluoro-6-methoxy-4-methyl-8-quinolinyl)pentane-1,4-diamine IUPAC Name: (Z)-but-2-enedioic acid; 4-N-(5-fluoro-6-methoxy-4-methylquinolin-8-yl)pentane-1,4-diamine Traditional Name: (4-amino-1-methyl-butyl)-(5-fluoro-6-methoxy-4-methyl-8-quinolyl)amine; maleic acid Formula: C20H26FN3O5 MolecularWeight: 407.435943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C(C2=NC=C1)NC(C)CCCN)OC)F.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C2C(=C(C=C(C2=NC=C1)NC(C)CCCN)OC)F.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C16H22FN3O.C4H4O4/c1-10-6-8-19-16-12(20-11(2)5-4-7-18)9-13(21-3)15(17)14(10)16;5-3(6)1-2-4(7)8/h6,8-9,11,20H,4-5,7,18H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-