ethanedioic acid; N-[1-(4-methylphenyl)-3-piperidin-1-yl-propyl]quinoline-2-carboxamide

Systemtic Name: ethanedioic acid; N-[1-(4-methylphenyl)-3-piperidin-1-yl-propyl]quinoline-2-carboxamide Openeye Name: oxalic acid; N-[3-(1-piperidyl)-1-(p-tolyl)propyl]quinoline-2-carboxamide CAS Name: N-[1-(4-methylphenyl)-3-(1-piperidinyl)propyl]-2-quinolinecarboxamide; oxalic acid IUPAC Name: N-[1-(4-methylphenyl)-3-piperidin-1-ylpropyl]quinoline-2-carboxamide; oxalic acid Traditional Name: oxalic acid; N-[3-piperidino-1-(p-tolyl)propyl]quinaldamide Formula: C27H31N3O5 MolecularWeight: 477.55214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CCN2CCCCC2)NC(=O)C3=NC4=CC=CC=C4C=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(CCN2CCCCC2)NC(=O)C3=NC4=CC=CC=C4C=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H29N3O.C2H2O4/c1-19-9-11-21(12-10-19)23(15-18-28-16-5-2-6-17-28)27-25(29)24-14-13-20-7-3-4-8-22(20)26-24;3-1(4)2(5)6/h3-4,7-14,23H,2,5-6,15-18H2,1H3,(H,27,29);(H,3,4)(H,5,6)