(E)-but-2-enedioic acid; 1-methyl-2-(1-phenyl-3-pyrrolidin-1-yl-propyl)pyrrole

Systemtic Name: (E)-but-2-enedioic acid; 1-methyl-2-(1-phenyl-3-pyrrolidin-1-yl-propyl)pyrrole Openeye Name: fumaric acid; 1-methyl-2-(1-phenyl-3-pyrrolidin-1-yl-propyl)pyrrole CAS Name: (E)-2-butenedioic acid; 1-methyl-2-[1-phenyl-3-(1-pyrrolidinyl)propyl]pyrrole IUPAC Name: (E)-but-2-enedioic acid; 1-methyl-2-(1-phenyl-3-pyrrolidin-1-ylpropyl)pyrrole Traditional Name: fumaric acid; 1-methyl-2-(1-phenyl-3-pyrrolidino-propyl)pyrrole Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(CCN2CCCC2)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1C=CC=C1C(CCN2CCCC2)C3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H24N2.C4H4O4/c1-19-12-7-10-18(19)17(16-8-3-2-4-9-16)11-15-20-13-5-6-14-20;5-3(6)1-2-4(7)8/h2-4,7-10,12,17H,5-6,11,13-15H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+