(E)-but-2-enedioic acid; N-[1-(2-methylphenyl)-3-piperidin-1-yl-propyl]quinoline-2-carboxamide

Systemtic Name: (E)-but-2-enedioic acid; N-[1-(2-methylphenyl)-3-piperidin-1-yl-propyl]quinoline-2-carboxamide Openeye Name: fumaric acid; N-[1-(o-tolyl)-3-(1-piperidyl)propyl]quinoline-2-carboxamide CAS Name: (E)-2-butenedioic acid; N-[1-(2-methylphenyl)-3-(1-piperidinyl)propyl]-2-quinolinecarboxamide IUPAC Name: (E)-but-2-enedioic acid; N-[1-(2-methylphenyl)-3-piperidin-1-ylpropyl]quinoline-2-carboxamide Traditional Name: fumaric acid; N-[1-(o-tolyl)-3-piperidino-propyl]quinaldamide Formula: C29H33N3O5 MolecularWeight: 503.58942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CCN2CCCCC2)NC(=O)C3=NC4=CC=CC=C4C=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(CCN2CCCCC2)NC(=O)C3=NC4=CC=CC=C4C=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C25H29N3O.C4H4O4/c1-19-9-3-5-11-21(19)23(15-18-28-16-7-2-8-17-28)27-25(29)24-14-13-20-10-4-6-12-22(20)26-24;5-3(6)1-2-4(7)8/h3-6,9-14,23H,2,7-8,15-18H2,1H3,(H,27,29);1-2H,(H,5,6)(H,7,8)/b;2-1+