(E)-but-2-enedioic acid; N-(4-cyclopentylphenyl)-N-ethyl-2-(4-methylpiperazin-1-yl)ethanamide

Systemtic Name: (E)-but-2-enedioic acid; N-(4-cyclopentylphenyl)-N-ethyl-2-(4-methylpiperazin-1-yl)ethanamide Openeye Name: N-(4-cyclopentylphenyl)-N-ethyl-2-(4-methylpiperazin-1-yl)acetamide; fumaric acid CAS Name: (E)-2-butenedioic acid; N-(4-cyclopentylphenyl)-N-ethyl-2-(4-methyl-1-piperazinyl)acetamide IUPAC Name: (E)-but-2-enedioic acid; N-(4-cyclopentylphenyl)-N-ethyl-2-(4-methylpiperazin-1-yl)acetamide Traditional Name: N-(4-cyclopentylphenyl)-N-ethyl-2-(4-methylpiperazino)acetamide; fumaric acid Formula: C28H39N3O9 MolecularWeight: 561.62396

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)C2CCCC2)C(=O)CN3CCN(CC3)C.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCN(C(=O)CN1CCN(CC1)C)C2=CC=C(C=C2)C3CCCC3.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H31N3O.2C4H4O4/c1-3-23(20(24)16-22-14-12-21(2)13-15-22)19-10-8-18(9-11-19)17-6-4-5-7-17;2*5-3(6)1-2-4(7)8/h8-11,17H,3-7,12-16H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+