(E)-but-2-enedioic acid; 1-(diethylamino)propan-2-yl 2-cyclohexyl-2-oxidanyl-cyclohexane-1-carboxylate

Systemtic Name: (E)-but-2-enedioic acid; 1-(diethylamino)propan-2-yl 2-cyclohexyl-2-oxidanyl-cyclohexane-1-carboxylate Openeye Name: [2-(diethylamino)-1-methyl-ethyl] 2-cyclohexyl-2-hydroxy-cyclohexanecarboxylate; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-cyclohexyl-2-hydroxy-1-cyclohexanecarboxylic acid 1-(diethylamino)propan-2-yl ester IUPAC Name: (E)-but-2-enedioic acid; 1-(diethylamino)propan-2-yl 2-cyclohexyl-2-hydroxycyclohexane-1-carboxylate Traditional Name: 2-cyclohexyl-2-hydroxy-cyclohexanecarboxylic acid [2-(diethylamino)-1-methyl-ethyl] ester; fumaric acid Formula: C24H41NO7 MolecularWeight: 455.58484

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC(C)OC(=O)C1CCCCC1(C2CCCCC2)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCN(CC)CC(C)OC(=O)C1CCCCC1(C2CCCCC2)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H37NO3.C4H4O4/c1-4-21(5-2)15-16(3)24-19(22)18-13-9-10-14-20(18,23)17-11-7-6-8-12-17;5-3(6)1-2-4(7)8/h16-18,23H,4-15H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+