(E)-but-2-enedioic acid; N-[1-(2-chlorophenyl)-2-methyl-1-oxidanylidene-propan-2-yl]-N-methyl-2-piperidin-1-yl-ethanamide

Systemtic Name: (E)-but-2-enedioic acid; N-[1-(2-chlorophenyl)-2-methyl-1-oxidanylidene-propan-2-yl]-N-methyl-2-piperidin-1-yl-ethanamide Openeye Name: N-[2-(2-chlorophenyl)-1,1-dimethyl-2-oxo-ethyl]-N-methyl-2-(1-piperidyl)acetamide; fumaric acid CAS Name: (E)-2-butenedioic acid; N-[1-(2-chlorophenyl)-2-methyl-1-oxopropan-2-yl]-N-methyl-2-(1-piperidinyl)acetamide IUPAC Name: (E)-but-2-enedioic acid; N-[1-(2-chlorophenyl)-2-methyl-1-oxopropan-2-yl]-N-methyl-2-piperidin-1-ylacetamide Traditional Name: N-[2-(2-chlorophenyl)-2-keto-1,1-dimethyl-ethyl]-N-methyl-2-piperidino-acetamide; fumaric acid Formula: C22H29ClN2O6 MolecularWeight: 452.92846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)C1=CC=CC=C1Cl)N(C)C(=O)CN2CCCCC2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C(=O)C1=CC=CC=C1Cl)N(C)C(=O)CN2CCCCC2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H25ClN2O2.C4H4O4/c1-18(2,17(23)14-9-5-6-10-15(14)19)20(3)16(22)13-21-11-7-4-8-12-21;5-3(6)1-2-4(7)8/h5-6,9-10H,4,7-8,11-13H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+