(E)-but-2-enedioic acid; 2-diethylaminoethyl 1-cyclohexylcyclohexane-1-carboxylate

Systemtic Name: (E)-but-2-enedioic acid; 2-diethylaminoethyl 1-cyclohexylcyclohexane-1-carboxylate Openeye Name: 2-diethylaminoethyl 1-cyclohexylcyclohexanecarboxylate; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-cyclohexyl-1-cyclohexanecarboxylic acid 2-diethylaminoethyl ester IUPAC Name: (E)-but-2-enedioic acid; 2-diethylaminoethyl 1-cyclohexylcyclohexane-1-carboxylate Traditional Name: 1-cyclohexylcyclohexanecarboxylic acid 2-diethylaminoethyl ester; fumaric acid Formula: C23H39NO6 MolecularWeight: 425.55886

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1(CCCCC1)C2CCCCC2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCN(CC)CCOC(=O)C1(CCCCC1)C2CCCCC2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H35NO2.C4H4O4/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17;5-3(6)1-2-4(7)8/h17H,3-16H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+