3-azanyl-N-[(1-tridecanoylpiperidin-2-yl)methyl]propanamide; (E)-but-2-enedioic acid

Systemtic Name: 3-azanyl-N-[(1-tridecanoylpiperidin-2-yl)methyl]propanamide; (E)-but-2-enedioic acid Openeye Name: 3-amino-N-[(1-tridecanoyl-2-piperidyl)methyl]propanamide; fumaric acid CAS Name: 3-amino-N-[[1-(1-oxotridecyl)-2-piperidinyl]methyl]propanamide; (E)-2-butenedioic acid IUPAC Name: 3-amino-N-[(1-tridecanoylpiperidin-2-yl)methyl]propanamide; (E)-but-2-enedioic acid Traditional Name: 3-amino-N-[(1-tridecanoyl-2-piperidyl)methyl]propionamide; fumaric acid Formula: C26H47N3O6 MolecularWeight: 497.66788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(=O)N1CCCCC1CNC(=O)CCN.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCC(=O)N1CCCCC1CNC(=O)CCN.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C22H43N3O2.C4H4O4/c1-2-3-4-5-6-7-8-9-10-11-15-22(27)25-18-13-12-14-20(25)19-24-21(26)16-17-23;5-3(6)1-2-4(7)8/h20H,2-19,23H2,1H3,(H,24,26);1-2H,(H,5,6)(H,7,8)/b;2-1+