(E)-but-2-enedioic acid; (1-methylpiperidin-3-yl)-phenyl-methanone

Systemtic Name: (E)-but-2-enedioic acid; (1-methylpiperidin-3-yl)-phenyl-methanone Openeye Name: fumaric acid; (1-methyl-3-piperidyl)-phenyl-methanone CAS Name: (E)-2-butenedioic acid; (1-methyl-3-piperidinyl)-phenylmethanone IUPAC Name: (E)-but-2-enedioic acid; (1-methylpiperidin-3-yl)-phenylmethanone Traditional Name: fumaric acid; (1-methyl-3-piperidyl)-phenyl-methanone Formula: C17H21NO5 MolecularWeight: 319.35234

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC(C1)C(=O)C2=CC=CC=C2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCCC(C1)C(=O)C2=CC=CC=C2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H17NO.C4H4O4/c1-14-9-5-8-12(10-14)13(15)11-6-3-2-4-7-11;5-3(6)1-2-4(7)8/h2-4,6-7,12H,5,8-10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+