N-butyl-N'-(6-methoxyquinolin-8-yl)pentane-1,5-diamine; ethanedioic acid

Systemtic Name: N-butyl-N'-(6-methoxyquinolin-8-yl)pentane-1,5-diamine; ethanedioic acid Openeye Name: N-butyl-N'-(6-methoxy-8-quinolyl)pentane-1,5-diamine; oxalic acid CAS Name: N-butyl-N'-(6-methoxy-8-quinolinyl)pentane-1,5-diamine; oxalic acid IUPAC Name: N-butyl-N'-(6-methoxyquinolin-8-yl)pentane-1,5-diamine; oxalic acid Traditional Name: butyl-[5-[(6-methoxy-8-quinolyl)amino]pentyl]amine; oxalic acid Formula: C21H31N3O5 MolecularWeight: 405.48794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNCCCCCNC1=C2C(=CC(=C1)OC)C=CC=N2.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCNCCCCCNC1=C2C(=CC(=C1)OC)C=CC=N2.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H29N3O.C2H2O4/c1-3-4-10-20-11-6-5-7-12-21-18-15-17(23-2)14-16-9-8-13-22-19(16)18;3-1(4)2(5)6/h8-9,13-15,20-21H,3-7,10-12H2,1-2H3;(H,3,4)(H,5,6)