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

Systemtic Name: (E)-but-2-enedioic acid; 4-(4-pyrrolidin-1-ylphenoxy)piperidine Openeye Name: fumaric acid; 4-(4-pyrrolidin-1-ylphenoxy)piperidine CAS Name: (E)-2-butenedioic acid; 4-[4-(1-pyrrolidinyl)phenoxy]piperidine IUPAC Name: (E)-but-2-enedioic acid; 4-(4-pyrrolidin-1-ylphenoxy)piperidine Traditional Name: fumaric acid; 4-(4-pyrrolidinophenoxy)piperidine Formula: C19H26N2O5 MolecularWeight: 362.42014

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)OC3CCNCC3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)OC3CCNCC3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H22N2O.C4H4O4/c1-2-12-17(11-1)13-3-5-14(6-4-13)18-15-7-9-16-10-8-15;5-3(6)1-2-4(7)8/h3-6,15-16H,1-2,7-12H2;1-2H,(H,5,6)(H,7,8)/b;2-1+