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

Systemtic Name: (E)-but-2-enedioic acid; N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-4-phenyl-pyrrolidin-2-imine Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-4-phenyl-pyrrolidin-2-imine; fumaric acid CAS Name: (E)-2-butenedioic acid; N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-4-phenyl-2-pyrrolidinimine IUPAC Name: (E)-but-2-enedioic acid; N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-4-phenylpyrrolidin-2-imine Traditional Name: fumaric acid; homoveratryl-(1-methyl-4-phenyl-pyrrolidin-2-ylidene)amine Formula: C25H30N2O6 MolecularWeight: 454.5155

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(CC1=NCCC2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CC(CC1=NCCC2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C21H26N2O2.C4H4O4/c1-23-15-18(17-7-5-4-6-8-17)14-21(23)22-12-11-16-9-10-19(24-2)20(13-16)25-3;5-3(6)1-2-4(7)8/h4-10,13,18H,11-12,14-15H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+