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

Systemtic Name: (Z)-but-2-enedioic acid; N4-(6-methoxy-4,5-dimethyl-quinolin-8-yl)pentane-1,4-diamine Openeye Name: maleic acid; N4-(6-methoxy-4,5-dimethyl-8-quinolyl)pentane-1,4-diamine CAS Name: (Z)-2-butenedioic acid; N4-(6-methoxy-4,5-dimethyl-8-quinolinyl)pentane-1,4-diamine IUPAC Name: (Z)-but-2-enedioic acid; 4-N-(6-methoxy-4,5-dimethylquinolin-8-yl)pentane-1,4-diamine Traditional Name: (4-amino-1-methyl-butyl)-(6-methoxy-4,5-dimethyl-8-quinolyl)amine; maleic acid Formula: C21H29N3O5 MolecularWeight: 403.47206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O.C4H4O4/c1-11-7-9-19-17-14(20-12(2)6-5-8-18)10-15(21-4)13(3)16(11)17;5-3(6)1-2-4(7)8/h7,9-10,12,20H,5-6,8,18H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1-