(E)-but-2-enedioic acid; 4-(naphthalen-2-ylmethoxy)piperidine

Systemtic Name: (E)-but-2-enedioic acid; 4-(naphthalen-2-ylmethoxy)piperidine Openeye Name: fumaric acid; 4-(2-naphthylmethoxy)piperidine CAS Name: (E)-2-butenedioic acid; 4-(2-naphthalenylmethoxy)piperidine IUPAC Name: (E)-but-2-enedioic acid; 4-(naphthalen-2-ylmethoxy)piperidine Traditional Name: fumaric acid; 4-(2-naphthylmethoxy)piperidine Formula: C20H23NO5 MolecularWeight: 357.40032

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1OCC2=CC3=CC=CC=C3C=C2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CNCCC1OCC2=CC3=CC=CC=C3C=C2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H19NO.C4H4O4/c1-2-4-15-11-13(5-6-14(15)3-1)12-18-16-7-9-17-10-8-16;5-3(6)1-2-4(7)8/h1-6,11,16-17H,7-10,12H2;1-2H,(H,5,6)(H,7,8)/b;2-1+