(E)-but-2-enedioic acid; N-methyl-N-(2-piperidin-4-ylethyl)benzamide

Systemtic Name: (E)-but-2-enedioic acid; N-methyl-N-(2-piperidin-4-ylethyl)benzamide Openeye Name: fumaric acid; N-methyl-N-[2-(4-piperidyl)ethyl]benzamide CAS Name: (E)-2-butenedioic acid; N-methyl-N-[2-(4-piperidinyl)ethyl]benzamide IUPAC Name: (E)-but-2-enedioic acid; N-methyl-N-(2-piperidin-4-ylethyl)benzamide Traditional Name: fumaric acid; N-methyl-N-[2-(4-piperidyl)ethyl]benzamide Formula: C19H26N2O5 MolecularWeight: 362.42014

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1CCNCC1)C(=O)C2=CC=CC=C2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(CCC1CCNCC1)C(=O)C2=CC=CC=C2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H22N2O.C4H4O4/c1-17(12-9-13-7-10-16-11-8-13)15(18)14-5-3-2-4-6-14;5-3(6)1-2-4(7)8/h2-6,13,16H,7-12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+