(E)-but-2-enedioic acid; N4-(6-methoxy-1-methyl-3,4-dihydro-2H-quinolin-8-yl)pentane-1,4-diamine

Systemtic Name: (E)-but-2-enedioic acid; N4-(6-methoxy-1-methyl-3,4-dihydro-2H-quinolin-8-yl)pentane-1,4-diamine Openeye Name: fumaric acid; N4-(6-methoxy-1-methyl-3,4-dihydro-2H-quinolin-8-yl)pentane-1,4-diamine CAS Name: (E)-2-butenedioic acid; N4-(6-methoxy-1-methyl-3,4-dihydro-2H-quinolin-8-yl)pentane-1,4-diamine IUPAC Name: (E)-but-2-enedioic acid; 4-N-(6-methoxy-1-methyl-3,4-dihydro-2H-quinolin-8-yl)pentane-1,4-diamine Traditional Name: (4-amino-1-methyl-butyl)-(6-methoxy-1-methyl-3,4-dihydro-2H-quinolin-8-yl)amine; fumaric acid Formula: C20H31N3O5 MolecularWeight: 393.47724

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCN)NC1=C2C(=CC(=C1)OC)CCCN2C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(CCCN)NC1=C2C(=CC(=C1)OC)CCCN2C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H27N3O.C4H4O4/c1-12(6-4-8-17)18-15-11-14(20-3)10-13-7-5-9-19(2)16(13)15;5-3(6)1-2-4(7)8/h10-12,18H,4-9,17H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+