(E)-but-2-enedioic acid; N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-pyrrolidin-2-imine

Systemtic Name: (E)-but-2-enedioic acid; N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-pyrrolidin-2-imine Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-pyrrolidin-2-imine; fumaric acid CAS Name: (E)-2-butenedioic acid; N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-2-pyrrolidinimine IUPAC Name: (E)-but-2-enedioic acid; N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylpyrrolidin-2-imine Traditional Name: fumaric acid; homoveratryl-(1-methylpyrrolidin-2-ylidene)amine Formula: C19H26N2O6 MolecularWeight: 378.41954

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1=NCCC2=CC(=C(C=C2)OC)OC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCCC1=NCCC2=CC(=C(C=C2)OC)OC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H22N2O2.C4H4O4/c1-17-10-4-5-15(17)16-9-8-12-6-7-13(18-2)14(11-12)19-3;5-3(6)1-2-4(7)8/h6-7,11H,4-5,8-10H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+