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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H17N3O2.C4H4O4/c1-8(2)13-10(14)15-5-3-4-9-6-11-7-12-9;5-3(6)1-2-4(7)8/h6-8H,3-5H2,1-2H3,(H,11,12)(H,13,14);1-2H,(H,5,6)(H,7,8)/b;2-1+