(E)-but-2-enedioic acid; 4-(2-chloranylphenoxy)-1-methyl-3-phenyl-piperidine

Systemtic Name: (E)-but-2-enedioic acid; 4-(2-chloranylphenoxy)-1-methyl-3-phenyl-piperidine Openeye Name: 4-(2-chlorophenoxy)-1-methyl-3-phenyl-piperidine; fumaric acid CAS Name: (E)-2-butenedioic acid; 4-(2-chlorophenoxy)-1-methyl-3-phenylpiperidine IUPAC Name: (E)-but-2-enedioic acid; 4-(2-chlorophenoxy)-1-methyl-3-phenylpiperidine Traditional Name: 4-(2-chlorophenoxy)-1-methyl-3-phenyl-piperidine; fumaric acid Formula: C22H24ClNO5 MolecularWeight: 417.88266

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C(C1)C2=CC=CC=C2)OC3=CC=CC=C3Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCC(C(C1)C2=CC=CC=C2)OC3=CC=CC=C3Cl.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H20ClNO.C4H4O4/c1-20-12-11-17(21-18-10-6-5-9-16(18)19)15(13-20)14-7-3-2-4-8-14;5-3(6)1-2-4(7)8/h2-10,15,17H,11-13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+