(E)-but-2-enedioic acid; 2-dimethylaminoethyl cyclohexanecarboxylate

Systemtic Name: (E)-but-2-enedioic acid; 2-dimethylaminoethyl cyclohexanecarboxylate Openeye Name: 2-dimethylaminoethyl cyclohexanecarboxylate; fumaric acid CAS Name: (E)-2-butenedioic acid; cyclohexanecarboxylic acid 2-dimethylaminoethyl ester IUPAC Name: (E)-but-2-enedioic acid; 2-dimethylaminoethyl cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid 2-dimethylaminoethyl ester; fumaric acid Formula: C19H29NO10 MolecularWeight: 431.43426

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC(=O)C1CCCCC1.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(CCOC(=O)C1CCCCC1)C.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C11H21NO2.2C4H4O4/c1-12(2)8-9-14-11(13)10-6-4-3-5-7-10;2*5-3(6)1-2-4(7)8/h10H,3-9H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+