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

Systemtic Name: (E)-but-2-enedioic acid; 3-(1H-imidazol-5-yl)propyl N-octylcarbamate Openeye Name: fumaric acid; 3-(1H-imidazol-5-yl)propyl N-octylcarbamate CAS Name: (E)-2-butenedioic acid; N-octylcarbamic acid 3-(1H-imidazol-5-yl)propyl ester IUPAC Name: (E)-but-2-enedioic acid; 3-(1H-imidazol-5-yl)propyl N-octylcarbamate Traditional Name: fumaric acid; N-octylcarbamic acid 3-(1H-imidazol-5-yl)propyl ester Formula: C19H31N3O6 MolecularWeight: 397.46594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H27N3O2.C4H4O4/c1-2-3-4-5-6-7-10-17-15(19)20-11-8-9-14-12-16-13-18-14;5-3(6)1-2-4(7)8/h12-13H,2-11H2,1H3,(H,16,18)(H,17,19);1-2H,(H,5,6)(H,7,8)/b;2-1+