(E)-but-2-enedioic acid; 4-chloranyl-N-[2-(dimethylamino)cyclohexyl]-N-methyl-benzamide

Systemtic Name: (E)-but-2-enedioic acid; 4-chloranyl-N-[2-(dimethylamino)cyclohexyl]-N-methyl-benzamide Openeye Name: 4-chloro-N-[2-(dimethylamino)cyclohexyl]-N-methyl-benzamide; fumaric acid CAS Name: (E)-2-butenedioic acid; 4-chloro-N-[2-(dimethylamino)cyclohexyl]-N-methylbenzamide IUPAC Name: (E)-but-2-enedioic acid; 4-chloro-N-[2-(dimethylamino)cyclohexyl]-N-methylbenzamide Traditional Name: 4-chloro-N-[2-(dimethylamino)cyclohexyl]-N-methyl-benzamide; fumaric acid Formula: C20H27ClN2O5 MolecularWeight: 410.89178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1CCCCC1N(C)C(=O)C2=CC=C(C=C2)Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)C1CCCCC1N(C)C(=O)C2=CC=C(C=C2)Cl.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H23ClN2O.C4H4O4/c1-18(2)14-6-4-5-7-15(14)19(3)16(20)12-8-10-13(17)11-9-12;5-3(6)1-2-4(7)8/h8-11,14-15H,4-7H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+