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

Systemtic Name: (E)-but-2-enedioic acid; 3-(1H-imidazol-5-yl)propyl N-heptan-2-ylcarbamate Openeye Name: fumaric acid; 3-(1H-imidazol-5-yl)propyl N-(1-methylhexyl)carbamate CAS Name: (E)-2-butenedioic acid; N-heptan-2-ylcarbamic acid 3-(1H-imidazol-5-yl)propyl ester IUPAC Name: (E)-but-2-enedioic acid; 3-(1H-imidazol-5-yl)propyl N-heptan-2-ylcarbamate Traditional Name: fumaric acid; N-(1-methylhexyl)carbamic acid 3-(1H-imidazol-5-yl)propyl ester Formula: C18H29N3O6 MolecularWeight: 383.43936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H25N3O2.C4H4O4/c1-3-4-5-7-12(2)17-14(18)19-9-6-8-13-10-15-11-16-13;5-3(6)1-2-4(7)8/h10-12H,3-9H2,1-2H3,(H,15,16)(H,17,18);1-2H,(H,5,6)(H,7,8)/b;2-1+