2-(1,3-benzodioxol-5-ylmethylamino)-1-(6-methoxy-2,2,4-trimethyl-quinolin-1-yl)ethanone; ethanedioic acid

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylamino)-1-(6-methoxy-2,2,4-trimethyl-quinolin-1-yl)ethanone; ethanedioic acid Openeye Name: 2-(1,3-benzodioxol-5-ylmethylamino)-1-(6-methoxy-2,2,4-trimethyl-1-quinolyl)ethanone; oxalic acid CAS Name: 2-(1,3-benzodioxol-5-ylmethylamino)-1-(6-methoxy-2,2,4-trimethyl-1-quinolinyl)ethanone; oxalic acid IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylamino)-1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)ethanone; oxalic acid Traditional Name: 1-(6-methoxy-2,2,4-trimethyl-1-quinolyl)-2-(piperonylamino)ethanone; oxalic acid Formula: C25H28N2O8 MolecularWeight: 484.49842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(N(C2=C1C=C(C=C2)OC)C(=O)CNCC3=CC4=C(C=C3)OCO4)(C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(N(C2=C1C=C(C=C2)OC)C(=O)CNCC3=CC4=C(C=C3)OCO4)(C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H26N2O4.C2H2O4/c1-15-11-23(2,3)25(19-7-6-17(27-4)10-18(15)19)22(26)13-24-12-16-5-8-20-21(9-16)29-14-28-20;3-1(4)2(5)6/h5-11,24H,12-14H2,1-4H3;(H,3,4)(H,5,6)