(E)-but-2-enedioic acid; 1-(4-imidazol-1-ylpiperidin-1-yl)octan-1-one

Systemtic Name: (E)-but-2-enedioic acid; 1-(4-imidazol-1-ylpiperidin-1-yl)octan-1-one Openeye Name: fumaric acid; 1-(4-imidazol-1-yl-1-piperidyl)octan-1-one CAS Name: (E)-2-butenedioic acid; 1-[4-(1-imidazolyl)-1-piperidinyl]-1-octanone IUPAC Name: (E)-but-2-enedioic acid; 1-(4-imidazol-1-ylpiperidin-1-yl)octan-1-one Traditional Name: fumaric acid; 1-(4-imidazol-1-ylpiperidino)octan-1-one Formula: C20H31N3O5 MolecularWeight: 393.47724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCC(CC1)N2C=CN=C2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCC(=O)N1CCC(CC1)N2C=CN=C2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H27N3O.C4H4O4/c1-2-3-4-5-6-7-16(20)18-11-8-15(9-12-18)19-13-10-17-14-19;5-3(6)1-2-4(7)8/h10,13-15H,2-9,11-12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+