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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC2(C1)CN(C(=O)O2)C(=O)OCCN(C)C)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1(CCCC2(C1)CN(C(=O)O2)C(=O)OCCN(C)C)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H26N2O4.C4H4O4/c1-14(2)6-5-7-15(10-14)11-17(13(19)21-15)12(18)20-9-8-16(3)4;5-3(6)1-2-4(7)8/h5-11H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+