(E)-but-2-enedioic acid; N-(2-methoxyphenyl)-N-pyrrolidin-3-yl-propanamide

Systemtic Name: (E)-but-2-enedioic acid; N-(2-methoxyphenyl)-N-pyrrolidin-3-yl-propanamide Openeye Name: fumaric acid; N-(2-methoxyphenyl)-N-pyrrolidin-3-yl-propanamide CAS Name: (E)-2-butenedioic acid; N-(2-methoxyphenyl)-N-(3-pyrrolidinyl)propanamide IUPAC Name: (E)-but-2-enedioic acid; N-(2-methoxyphenyl)-N-pyrrolidin-3-ylpropanamide Traditional Name: fumaric acid; N-(2-methoxyphenyl)-N-pyrrolidin-3-yl-propionamide Formula: C18H24N2O6 MolecularWeight: 364.39296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1CCNC1)C2=CC=CC=C2OC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCC(=O)N(C1CCNC1)C2=CC=CC=C2OC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H20N2O2.C4H4O4/c1-3-14(17)16(11-8-9-15-10-11)12-6-4-5-7-13(12)18-2;5-3(6)1-2-4(7)8/h4-7,11,15H,3,8-10H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+