(E)-but-2-enedioic acid; 3-[(4-chlorophenyl)-phenyl-methoxy]-1-methyl-pyrrolidine

Systemtic Name: (E)-but-2-enedioic acid; 3-[(4-chlorophenyl)-phenyl-methoxy]-1-methyl-pyrrolidine Openeye Name: 3-[(4-chlorophenyl)-phenyl-methoxy]-1-methyl-pyrrolidine; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-[(4-chlorophenyl)-phenylmethoxy]-1-methylpyrrolidine IUPAC Name: (E)-but-2-enedioic acid; 3-[(4-chlorophenyl)-phenylmethoxy]-1-methylpyrrolidine Traditional Name: 3-[(4-chlorophenyl)-phenyl-methoxy]-1-methyl-pyrrolidine; fumaric acid Formula: C22H24ClNO5 MolecularWeight: 417.88266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C1)OC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCC(C1)OC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl.C(=C/C(=O)O)\C(=O)O

InChI

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