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

Systemtic Name: (E)-but-2-enedioic acid; 3-(1H-imidazol-5-yl)propyl N-pentan-2-ylcarbamate Openeye Name: fumaric acid; 3-(1H-imidazol-5-yl)propyl N-(1-methylbutyl)carbamate CAS Name: (E)-2-butenedioic acid; N-pentan-2-ylcarbamic acid 3-(1H-imidazol-5-yl)propyl ester IUPAC Name: (E)-but-2-enedioic acid; 3-(1H-imidazol-5-yl)propyl N-pentan-2-ylcarbamate Traditional Name: fumaric acid; N-(1-methylbutyl)carbamic acid 3-(1H-imidazol-5-yl)propyl ester Formula: C16H25N3O6 MolecularWeight: 355.3862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)OCCCC1=CN=CN1.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCC(C)NC(=O)OCCCC1=CN=CN1.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H21N3O2.C4H4O4/c1-3-5-10(2)15-12(16)17-7-4-6-11-8-13-9-14-11;5-3(6)1-2-4(7)8/h8-10H,3-7H2,1-2H3,(H,13,14)(H,15,16);1-2H,(H,5,6)(H,7,8)/b;2-1+