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

Systemtic Name: (E)-but-2-enedioic acid; 3-(1H-imidazol-5-yl)propyl N-(3-methylpentyl)carbamate Openeye Name: fumaric acid; 3-(1H-imidazol-5-yl)propyl N-(3-methylpentyl)carbamate CAS Name: (E)-2-butenedioic acid; N-(3-methylpentyl)carbamic acid 3-(1H-imidazol-5-yl)propyl ester IUPAC Name: (E)-but-2-enedioic acid; 3-(1H-imidazol-5-yl)propyl N-(3-methylpentyl)carbamate Traditional Name: fumaric acid; N-(3-methylpentyl)carbamic acid 3-(1H-imidazol-5-yl)propyl ester Formula: C17H27N3O6 MolecularWeight: 369.41278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H23N3O2.C4H4O4/c1-3-11(2)6-7-15-13(17)18-8-4-5-12-9-14-10-16-12;5-3(6)1-2-4(7)8/h9-11H,3-8H2,1-2H3,(H,14,16)(H,15,17);1-2H,(H,5,6)(H,7,8)/b;2-1+