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

Systemtic Name: (E)-but-2-enedioic acid; 3-(1H-imidazol-5-yl)propyl N-butylcarbamate Openeye Name: fumaric acid; 3-(1H-imidazol-5-yl)propyl N-butylcarbamate CAS Name: (E)-2-butenedioic acid; N-butylcarbamic acid 3-(1H-imidazol-5-yl)propyl ester IUPAC Name: (E)-but-2-enedioic acid; 3-(1H-imidazol-5-yl)propyl N-butylcarbamate Traditional Name: N-butylcarbamic acid 3-(1H-imidazol-5-yl)propyl ester; fumaric acid Formula: C15H23N3O6 MolecularWeight: 341.35962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H19N3O2.C4H4O4/c1-2-3-6-13-11(15)16-7-4-5-10-8-12-9-14-10;5-3(6)1-2-4(7)8/h8-9H,2-7H2,1H3,(H,12,14)(H,13,15);1-2H,(H,5,6)(H,7,8)/b;2-1+