ethanedioic acid; 1-methyl-7-[3-[4-(phenylmethyl)piperidin-1-yl]propoxy]-3,4-dihydroquinolin-2-one

Systemtic Name: ethanedioic acid; 1-methyl-7-[3-[4-(phenylmethyl)piperidin-1-yl]propoxy]-3,4-dihydroquinolin-2-one Openeye Name: 7-[3-(4-benzyl-1-piperidyl)propoxy]-1-methyl-3,4-dihydroquinolin-2-one; oxalic acid CAS Name: 1-methyl-7-[3-[4-(phenylmethyl)-1-piperidinyl]propoxy]-3,4-dihydroquinolin-2-one; oxalic acid IUPAC Name: 7-[3-(4-benzylpiperidin-1-yl)propoxy]-1-methyl-3,4-dihydroquinolin-2-one; oxalic acid Traditional Name: 7-[3-(4-benzylpiperidino)propoxy]-1-methyl-3,4-dihydrocarbostyril; oxalic acid Formula: C27H34N2O6 MolecularWeight: 482.56866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CCC2=C1C=C(C=C2)OCCCN3CCC(CC3)CC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CN1C(=O)CCC2=C1C=C(C=C2)OCCCN3CCC(CC3)CC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H32N2O2.C2H2O4/c1-26-24-19-23(10-8-22(24)9-11-25(26)28)29-17-5-14-27-15-12-21(13-16-27)18-20-6-3-2-4-7-20;3-1(4)2(5)6/h2-4,6-8,10,19,21H,5,9,11-18H2,1H3;(H,3,4)(H,5,6)