(E)-but-2-enedioic acid; 3-(1H-imidazol-5-yl)propyl N-hexylcarbamate

Systemtic Name: (E)-but-2-enedioic acid; 3-(1H-imidazol-5-yl)propyl N-hexylcarbamate Openeye Name: fumaric acid; 3-(1H-imidazol-5-yl)propyl N-hexylcarbamate CAS Name: (E)-2-butenedioic acid; N-hexylcarbamic acid 3-(1H-imidazol-5-yl)propyl ester IUPAC Name: (E)-but-2-enedioic acid; 3-(1H-imidazol-5-yl)propyl N-hexylcarbamate Traditional Name: fumaric acid; N-hexylcarbamic acid 3-(1H-imidazol-5-yl)propyl ester Formula: C17H27N3O6 MolecularWeight: 369.41278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)OCCCC1=CN=CN1.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCNC(=O)OCCCC1=CN=CN1.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H23N3O2.C4H4O4/c1-2-3-4-5-8-15-13(17)18-9-6-7-12-10-14-11-16-12;5-3(6)1-2-4(7)8/h10-11H,2-9H2,1H3,(H,14,16)(H,15,17);1-2H,(H,5,6)(H,7,8)/b;2-1+