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

Systemtic Name: (E)-but-2-enedioic acid; 3-(1H-imidazol-5-yl)propyl N-(3-methylbutyl)carbamate Openeye Name: fumaric acid; 3-(1H-imidazol-5-yl)propyl N-isopentylcarbamate CAS Name: (E)-2-butenedioic acid; N-(3-methylbutyl)carbamic acid 3-(1H-imidazol-5-yl)propyl ester IUPAC Name: (E)-but-2-enedioic acid; 3-(1H-imidazol-5-yl)propyl N-(3-methylbutyl)carbamate Traditional Name: fumaric acid; N-isoamylcarbamic 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:

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

Isomeric SMILES

CC(C)CCNC(=O)OCCCC1=CN=CN1.C(=C/C(=O)O)\C(=O)O

InChI

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