(E)-but-2-enedioic acid; 2-dimethylaminoethyl 8,9-dimethyl-3-oxidanylidene-4-oxa-2-azaspiro[4.5]decane-2-carboxylate

Systemtic Name: (E)-but-2-enedioic acid; 2-dimethylaminoethyl 8,9-dimethyl-3-oxidanylidene-4-oxa-2-azaspiro[4.5]decane-2-carboxylate Openeye Name: 2-dimethylaminoethyl 8,9-dimethyl-3-oxo-4-oxa-2-azaspiro[4.5]decane-2-carboxylate; fumaric acid CAS Name: (E)-2-butenedioic acid; 8,9-dimethyl-3-oxo-4-oxa-2-azaspiro[4.5]decane-2-carboxylic acid 2-dimethylaminoethyl ester IUPAC Name: (E)-but-2-enedioic acid; 2-dimethylaminoethyl 8,9-dimethyl-3-oxo-4-oxa-2-azaspiro[4.5]decane-2-carboxylate Traditional Name: fumaric acid; 3-keto-8,9-dimethyl-4-oxa-2-azaspiro[4.5]decane-2-carboxylic acid 2-dimethylaminoethyl ester Formula: C19H30N2O8 MolecularWeight: 414.4501

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2(CC1C)CN(C(=O)O2)C(=O)OCCN(C)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1CCC2(CC1C)CN(C(=O)O2)C(=O)OCCN(C)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H26N2O4.C4H4O4/c1-11-5-6-15(9-12(11)2)10-17(14(19)21-15)13(18)20-8-7-16(3)4;5-3(6)1-2-4(7)8/h11-12H,5-10H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+