(E)-but-2-enedioic acid; 1-methyl-N-phenethyl-4-phenyl-pyrrolidin-2-imine

Systemtic Name: (E)-but-2-enedioic acid; 1-methyl-N-phenethyl-4-phenyl-pyrrolidin-2-imine Openeye Name: fumaric acid; 1-methyl-N-phenethyl-4-phenyl-pyrrolidin-2-imine CAS Name: (E)-2-butenedioic acid; 1-methyl-N-phenethyl-4-phenyl-2-pyrrolidinimine IUPAC Name: (E)-but-2-enedioic acid; 1-methyl-N-phenethyl-4-phenylpyrrolidin-2-imine Traditional Name: fumaric acid; (1-methyl-4-phenyl-pyrrolidin-2-ylidene)-phenethyl-amine Formula: C23H26N2O4 MolecularWeight: 394.46354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2.C4H4O4/c1-21-15-18(17-10-6-3-7-11-17)14-19(21)20-13-12-16-8-4-2-5-9-16;5-3(6)1-2-4(7)8/h2-11,18H,12-15H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+