(E)-but-2-enedioic acid; N-cyclohexyl-N-(1-ethyl-4-oxidanyl-pyrrolidin-3-yl)benzamide

Systemtic Name: (E)-but-2-enedioic acid; N-cyclohexyl-N-(1-ethyl-4-oxidanyl-pyrrolidin-3-yl)benzamide Openeye Name: N-cyclohexyl-N-(1-ethyl-4-hydroxy-pyrrolidin-3-yl)benzamide; fumaric acid CAS Name: (E)-2-butenedioic acid; N-cyclohexyl-N-(1-ethyl-4-hydroxy-3-pyrrolidinyl)benzamide IUPAC Name: (E)-but-2-enedioic acid; N-cyclohexyl-N-(1-ethyl-4-hydroxypyrrolidin-3-yl)benzamide Traditional Name: N-cyclohexyl-N-(1-ethyl-4-hydroxy-pyrrolidin-3-yl)benzamide; fumaric acid Formula: C23H32N2O6 MolecularWeight: 432.50998

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC(C(C1)O)N(C2CCCCC2)C(=O)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCN1CC(C(C1)O)N(C2CCCCC2)C(=O)C3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H28N2O2.C4H4O4/c1-2-20-13-17(18(22)14-20)21(16-11-7-4-8-12-16)19(23)15-9-5-3-6-10-15;5-3(6)1-2-4(7)8/h3,5-6,9-10,16-18,22H,2,4,7-8,11-14H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+