(E)-but-2-enedioic acid; [2-cyclohexyl-2-(dimethylamino)butyl] 3,4,5-trimethoxycyclohexane-1-carboxylate

Systemtic Name: (E)-but-2-enedioic acid; [2-cyclohexyl-2-(dimethylamino)butyl] 3,4,5-trimethoxycyclohexane-1-carboxylate Openeye Name: [2-cyclohexyl-2-(dimethylamino)butyl] 3,4,5-trimethoxycyclohexanecarboxylate; fumaric acid CAS Name: (E)-2-butenedioic acid; 3,4,5-trimethoxy-1-cyclohexanecarboxylic acid [2-cyclohexyl-2-(dimethylamino)butyl] ester IUPAC Name: (E)-but-2-enedioic acid; [2-cyclohexyl-2-(dimethylamino)butyl] 3,4,5-trimethoxycyclohexane-1-carboxylate Traditional Name: fumaric acid; 3,4,5-trimethoxycyclohexanecarboxylic acid [2-cyclohexyl-2-(dimethylamino)butyl] ester Formula: C26H45NO9 MolecularWeight: 515.6368

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COC(=O)C1CC(C(C(C1)OC)OC)OC)(C2CCCCC2)N(C)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCC(COC(=O)C1CC(C(C(C1)OC)OC)OC)(C2CCCCC2)N(C)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C22H41NO5.C4H4O4/c1-7-22(23(2)3,17-11-9-8-10-12-17)15-28-21(24)16-13-18(25-4)20(27-6)19(14-16)26-5;5-3(6)1-2-4(7)8/h16-20H,7-15H2,1-6H3;1-2H,(H,5,6)(H,7,8)/b;2-1+