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

Systemtic Name: (E)-but-2-enedioic acid; N-butyl-N-(1-ethyl-4-oxidanyl-pyrrolidin-3-yl)benzamide Openeye Name: N-butyl-N-(1-ethyl-4-hydroxy-pyrrolidin-3-yl)benzamide; fumaric acid CAS Name: (E)-2-butenedioic acid; N-butyl-N-(1-ethyl-4-hydroxy-3-pyrrolidinyl)benzamide IUPAC Name: (E)-but-2-enedioic acid; N-butyl-N-(1-ethyl-4-hydroxypyrrolidin-3-yl)benzamide Traditional Name: N-butyl-N-(1-ethyl-4-hydroxy-pyrrolidin-3-yl)benzamide; fumaric acid Formula: C21H30N2O6 MolecularWeight: 406.4727

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1CN(CC1O)CC)C(=O)C2=CC=CC=C2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCN(C1CN(CC1O)CC)C(=O)C2=CC=CC=C2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H26N2O2.C4H4O4/c1-3-5-11-19(15-12-18(4-2)13-16(15)20)17(21)14-9-7-6-8-10-14;5-3(6)1-2-4(7)8/h6-10,15-16,20H,3-5,11-13H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+