(E)-but-2-enedioic acid; N-methyl-N-(2-phenoxyethyl)-2-pyrrolidin-1-yl-ethanamide

Systemtic Name: (E)-but-2-enedioic acid; N-methyl-N-(2-phenoxyethyl)-2-pyrrolidin-1-yl-ethanamide Openeye Name: fumaric acid; N-methyl-N-(2-phenoxyethyl)-2-pyrrolidin-1-yl-acetamide CAS Name: (E)-2-butenedioic acid; N-methyl-N-(2-phenoxyethyl)-2-(1-pyrrolidinyl)acetamide IUPAC Name: (E)-but-2-enedioic acid; N-methyl-N-(2-phenoxyethyl)-2-pyrrolidin-1-ylacetamide Traditional Name: fumaric acid; N-methyl-N-(2-phenoxyethyl)-2-pyrrolidino-acetamide Formula: C19H26N2O6 MolecularWeight: 378.41954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCOC1=CC=CC=C1)C(=O)CN2CCCC2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(CCOC1=CC=CC=C1)C(=O)CN2CCCC2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H22N2O2.C4H4O4/c1-16(15(18)13-17-9-5-6-10-17)11-12-19-14-7-3-2-4-8-14;5-3(6)1-2-4(7)8/h2-4,7-8H,5-6,9-13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+