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

Systemtic Name: (E)-but-2-enedioic acid; 3-(1H-imidazol-5-yl)propyl N-propylcarbamate Openeye Name: fumaric acid; 3-(1H-imidazol-5-yl)propyl N-propylcarbamate CAS Name: (E)-2-butenedioic acid; N-propylcarbamic acid 3-(1H-imidazol-5-yl)propyl ester IUPAC Name: (E)-but-2-enedioic acid; 3-(1H-imidazol-5-yl)propyl N-propylcarbamate Traditional Name: fumaric acid; N-propylcarbamic acid 3-(1H-imidazol-5-yl)propyl ester Formula: C14H21N3O6 MolecularWeight: 327.33304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H17N3O2.C4H4O4/c1-2-5-12-10(14)15-6-3-4-9-7-11-8-13-9;5-3(6)1-2-4(7)8/h7-8H,2-6H2,1H3,(H,11,13)(H,12,14);1-2H,(H,5,6)(H,7,8)/b;2-1+