(E)-but-2-enedioic acid; 1-(3-phenyl-3-thiophen-2-yl-propyl)pyrrolidine

Systemtic Name: (E)-but-2-enedioic acid; 1-(3-phenyl-3-thiophen-2-yl-propyl)pyrrolidine Openeye Name: fumaric acid; 1-[3-phenyl-3-(2-thienyl)propyl]pyrrolidine CAS Name: (E)-2-butenedioic acid; 1-(3-phenyl-3-thiophen-2-ylpropyl)pyrrolidine IUPAC Name: (E)-but-2-enedioic acid; 1-(3-phenyl-3-thiophen-2-ylpropyl)pyrrolidine Traditional Name: fumaric acid; 1-[3-phenyl-3-(2-thienyl)propyl]pyrrolidine Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCC(C2=CC=CC=C2)C3=CC=CS3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CCN(C1)CCC(C2=CC=CC=C2)C3=CC=CS3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H21NS.C4H4O4/c1-2-7-15(8-3-1)16(17-9-6-14-19-17)10-13-18-11-4-5-12-18;5-3(6)1-2-4(7)8/h1-3,6-9,14,16H,4-5,10-13H2;1-2H,(H,5,6)(H,7,8)/b;2-1+