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

Systemtic Name: (E)-but-2-enedioic acid; 3-(1H-imidazol-5-yl)propyl N-pentylcarbamate Openeye Name: fumaric acid; 3-(1H-imidazol-5-yl)propyl N-pentylcarbamate CAS Name: (E)-2-butenedioic acid; N-pentylcarbamic acid 3-(1H-imidazol-5-yl)propyl ester IUPAC Name: (E)-but-2-enedioic acid; 3-(1H-imidazol-5-yl)propyl N-pentylcarbamate Traditional Name: N-amylcarbamic acid 3-(1H-imidazol-5-yl)propyl ester; fumaric acid Formula: C16H25N3O6 MolecularWeight: 355.3862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H21N3O2.C4H4O4/c1-2-3-4-7-14-12(16)17-8-5-6-11-9-13-10-15-11;5-3(6)1-2-4(7)8/h9-10H,2-8H2,1H3,(H,13,15)(H,14,16);1-2H,(H,5,6)(H,7,8)/b;2-1+