ethanedioic acid; 7-[3-[4-(quinolin-2-ylmethylidene)piperidin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one

Systemtic Name: ethanedioic acid; 7-[3-[4-(quinolin-2-ylmethylidene)piperidin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one Openeye Name: oxalic acid; 7-[3-[4-(2-quinolylmethylene)-1-piperidyl]propoxy]-3,4-dihydro-1H-quinolin-2-one CAS Name: oxalic acid; 7-[3-[4-(2-quinolinylmethylidene)-1-piperidinyl]propoxy]-3,4-dihydro-1H-quinolin-2-one IUPAC Name: oxalic acid; 7-[3-[4-(quinolin-2-ylmethylidene)piperidin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one Traditional Name: oxalic acid; 7-[3-[4-(2-quinolylmethylene)piperidino]propoxy]-3,4-dihydrocarbostyril Formula: C29H31N3O6 MolecularWeight: 517.57294

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NC2=C1C=CC(=C2)OCCCN3CCC(=CC4=NC5=CC=CC=C5C=C4)CC3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC(=O)NC2=C1C=CC(=C2)OCCCN3CCC(=CC4=NC5=CC=CC=C5C=C4)CC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C27H29N3O2.C2H2O4/c31-27-11-8-22-7-10-24(19-26(22)29-27)32-17-3-14-30-15-12-20(13-16-30)18-23-9-6-21-4-1-2-5-25(21)28-23;3-1(4)2(5)6/h1-2,4-7,9-10,18-19H,3,8,11-17H2,(H,29,31);(H,3,4)(H,5,6)