(E)-but-2-enedioic acid; 2-naphthalen-1-yl-1-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone

Systemtic Name: (E)-but-2-enedioic acid; 2-naphthalen-1-yl-1-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone Openeye Name: fumaric acid; 2-(1-naphthyl)-1-[2-(pyrrolidin-1-ylmethyl)-1-piperidyl]ethanone CAS Name: (E)-2-butenedioic acid; 2-(1-naphthalenyl)-1-[2-(1-pyrrolidinylmethyl)-1-piperidinyl]ethanone IUPAC Name: (E)-but-2-enedioic acid; 2-naphthalen-1-yl-1-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone Traditional Name: fumaric acid; 2-(1-naphthyl)-1-[2-(pyrrolidinomethyl)piperidino]ethanone Formula: C26H32N2O5 MolecularWeight: 452.54268

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CN2CCCC2)C(=O)CC3=CC=CC4=CC=CC=C43.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CCN(C(C1)CN2CCCC2)C(=O)CC3=CC=CC4=CC=CC=C43.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C22H28N2O.C4H4O4/c25-22(16-19-10-7-9-18-8-1-2-12-21(18)19)24-15-4-3-11-20(24)17-23-13-5-6-14-23;5-3(6)1-2-4(7)8/h1-2,7-10,12,20H,3-6,11,13-17H2;1-2H,(H,5,6)(H,7,8)/b;2-1+