(E)-but-2-enedioic acid; 2-(2-dimethylaminoethyl)-4,7,7-trimethyl-bicyclo[2.2.1]heptan-3-one

Systemtic Name: (E)-but-2-enedioic acid; 2-(2-dimethylaminoethyl)-4,7,7-trimethyl-bicyclo[2.2.1]heptan-3-one Openeye Name: 3-(2-dimethylaminoethyl)-1,7,7-trimethyl-norbornan-2-one; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-(2-dimethylaminoethyl)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanone IUPAC Name: (E)-but-2-enedioic acid; 2-(2-dimethylaminoethyl)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-one Traditional Name: 3-(2-dimethylaminoethyl)-1,7,7-trimethyl-norbornan-2-one; fumaric acid Formula: C18H29NO5 MolecularWeight: 339.42656

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC1(C(=O)C2CCN(C)C)C)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1(C2CCC1(C(=O)C2CCN(C)C)C)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H25NO.C4H4O4/c1-13(2)11-6-8-14(13,3)12(16)10(11)7-9-15(4)5;5-3(6)1-2-4(7)8/h10-11H,6-9H2,1-5H3;1-2H,(H,5,6)(H,7,8)/b;2-1+