(E)-but-2-enedioic acid; N-(4-methyl-4-azaspiro[4.5]decan-1-yl)benzamide

Systemtic Name: (E)-but-2-enedioic acid; N-(4-methyl-4-azaspiro[4.5]decan-1-yl)benzamide Openeye Name: fumaric acid; N-(4-methyl-4-azaspiro[4.5]decan-1-yl)benzamide CAS Name: (E)-2-butenedioic acid; N-(4-methyl-4-azaspiro[4.5]decan-1-yl)benzamide IUPAC Name: (E)-but-2-enedioic acid; N-(4-methyl-4-azaspiro[4.5]decan-1-yl)benzamide Traditional Name: fumaric acid; N-(4-methyl-4-azaspiro[4.5]decan-1-yl)benzamide Formula: C21H28N2O5 MolecularWeight: 388.45742

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C12CCCCC2)NC(=O)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCC(C12CCCCC2)NC(=O)C3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H24N2O.C4H4O4/c1-19-13-10-15(17(19)11-6-3-7-12-17)18-16(20)14-8-4-2-5-9-14;5-3(6)1-2-4(7)8/h2,4-5,8-9,15H,3,6-7,10-13H2,1H3,(H,18,20);1-2H,(H,5,6)(H,7,8)/b;2-1+