(E)-but-2-enedioic acid; 2-dimethylaminoethyl 8-methyl-3-oxidanylidene-4-oxa-2-azaspiro[4.5]decane-2-carboxylate

Systemtic Name: (E)-but-2-enedioic acid; 2-dimethylaminoethyl 8-methyl-3-oxidanylidene-4-oxa-2-azaspiro[4.5]decane-2-carboxylate Openeye Name: 2-dimethylaminoethyl 8-methyl-3-oxo-4-oxa-2-azaspiro[4.5]decane-2-carboxylate; fumaric acid CAS Name: (E)-2-butenedioic acid; 8-methyl-3-oxo-4-oxa-2-azaspiro[4.5]decane-2-carboxylic acid 2-dimethylaminoethyl ester IUPAC Name: (E)-but-2-enedioic acid; 2-dimethylaminoethyl 8-methyl-3-oxo-4-oxa-2-azaspiro[4.5]decane-2-carboxylate Traditional Name: fumaric acid; 3-keto-8-methyl-4-oxa-2-azaspiro[4.5]decane-2-carboxylic acid 2-dimethylaminoethyl ester Formula: C18H28N2O8 MolecularWeight: 400.42352

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2(CC1)CN(C(=O)O2)C(=O)OCCN(C)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1CCC2(CC1)CN(C(=O)O2)C(=O)OCCN(C)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H24N2O4.C4H4O4/c1-11-4-6-14(7-5-11)10-16(13(18)20-14)12(17)19-9-8-15(2)3;5-3(6)1-2-4(7)8/h11H,4-10H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+