(E)-but-2-enedioic acid; 2-dimethylaminoethyl 3-oxidanylidene-4-oxa-2-azaspiro[4.7]dodecane-2-carboxylate

Systemtic Name: (E)-but-2-enedioic acid; 2-dimethylaminoethyl 3-oxidanylidene-4-oxa-2-azaspiro[4.7]dodecane-2-carboxylate Openeye Name: 2-dimethylaminoethyl 3-oxo-4-oxa-2-azaspiro[4.7]dodecane-2-carboxylate; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-oxo-4-oxa-2-azaspiro[4.7]dodecane-2-carboxylic acid 2-dimethylaminoethyl ester IUPAC Name: (E)-but-2-enedioic acid; 2-dimethylaminoethyl 3-oxo-4-oxa-2-azaspiro[4.7]dodecane-2-carboxylate Traditional Name: fumaric acid; 3-keto-4-oxa-2-azaspiro[4.7]dodecane-2-carboxylic acid 2-dimethylaminoethyl ester Formula: C19H30N2O8 MolecularWeight: 414.4501

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC(=O)N1CC2(CCCCCCC2)OC1=O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)CCOC(=O)N1CC2(CCCCCCC2)OC1=O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H26N2O4.C4H4O4/c1-16(2)10-11-20-13(18)17-12-15(21-14(17)19)8-6-4-3-5-7-9-15;5-3(6)1-2-4(7)8/h3-12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+