(E)-but-2-enedioic acid; 4-[(3-chlorophenyl)-phenyl-methoxy]piperidine

Systemtic Name: (E)-but-2-enedioic acid; 4-[(3-chlorophenyl)-phenyl-methoxy]piperidine Openeye Name: 4-[(3-chlorophenyl)-phenyl-methoxy]piperidine; fumaric acid CAS Name: (E)-2-butenedioic acid; 4-[(3-chlorophenyl)-phenylmethoxy]piperidine IUPAC Name: (E)-but-2-enedioic acid; 4-[(3-chlorophenyl)-phenylmethoxy]piperidine Traditional Name: 4-[(3-chlorophenyl)-phenyl-methoxy]piperidine; fumaric acid Formula: C22H24ClNO5 MolecularWeight: 417.88266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1OC(C2=CC=CC=C2)C3=CC(=CC=C3)Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CNCCC1OC(C2=CC=CC=C2)C3=CC(=CC=C3)Cl.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H20ClNO.C4H4O4/c19-16-8-4-7-15(13-16)18(14-5-2-1-3-6-14)21-17-9-11-20-12-10-17;5-3(6)1-2-4(7)8/h1-8,13,17-18,20H,9-12H2;1-2H,(H,5,6)(H,7,8)/b;2-1+