(E)-but-2-enedioic acid; 4-[(4-pyrrolidin-1-ylphenoxy)methyl]piperidine

Systemtic Name: (E)-but-2-enedioic acid; 4-[(4-pyrrolidin-1-ylphenoxy)methyl]piperidine Openeye Name: fumaric acid; 4-[(4-pyrrolidin-1-ylphenoxy)methyl]piperidine CAS Name: (E)-2-butenedioic acid; 4-[[4-(1-pyrrolidinyl)phenoxy]methyl]piperidine IUPAC Name: (E)-but-2-enedioic acid; 4-[(4-pyrrolidin-1-ylphenoxy)methyl]piperidine Traditional Name: fumaric acid; 4-[(4-pyrrolidinophenoxy)methyl]piperidine Formula: C20H28N2O5 MolecularWeight: 376.44672

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)OCC3CCNCC3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)OCC3CCNCC3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H24N2O.C4H4O4/c1-2-12-18(11-1)15-3-5-16(6-4-15)19-13-14-7-9-17-10-8-14;5-3(6)1-2-4(7)8/h3-6,14,17H,1-2,7-13H2;1-2H,(H,5,6)(H,7,8)/b;2-1+