(E)-but-2-enedioic acid; N-[1-(4-cyclopentylphenyl)ethyl]-N-methyl-2-piperidin-1-yl-ethanamide

Systemtic Name: (E)-but-2-enedioic acid; N-[1-(4-cyclopentylphenyl)ethyl]-N-methyl-2-piperidin-1-yl-ethanamide Openeye Name: N-[1-(4-cyclopentylphenyl)ethyl]-N-methyl-2-(1-piperidyl)acetamide; fumaric acid CAS Name: (E)-2-butenedioic acid; N-[1-(4-cyclopentylphenyl)ethyl]-N-methyl-2-(1-piperidinyl)acetamide IUPAC Name: (E)-but-2-enedioic acid; N-[1-(4-cyclopentylphenyl)ethyl]-N-methyl-2-piperidin-1-ylacetamide Traditional Name: N-[1-(4-cyclopentylphenyl)ethyl]-N-methyl-2-piperidino-acetamide; fumaric acid Formula: C25H36N2O5 MolecularWeight: 444.56374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C2CCCC2)N(C)C(=O)CN3CCCCC3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C1=CC=C(C=C1)C2CCCC2)N(C)C(=O)CN3CCCCC3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C21H32N2O.C4H4O4/c1-17(22(2)21(24)16-23-14-6-3-7-15-23)18-10-12-20(13-11-18)19-8-4-5-9-19;5-3(6)1-2-4(7)8/h10-13,17,19H,3-9,14-16H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+