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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H19N3O2.C4H4O4/c1-3-9(2)14-11(15)16-6-4-5-10-7-12-8-13-10;5-3(6)1-2-4(7)8/h7-9H,3-6H2,1-2H3,(H,12,13)(H,14,15);1-2H,(H,5,6)(H,7,8)/b;2-1+