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

Systemtic Name: (E)-but-2-enedioic acid; 4-methyl-N-(4-methyl-4-azaspiro[4.5]decan-1-yl)benzamide Openeye Name: fumaric acid; 4-methyl-N-(4-methyl-4-azaspiro[4.5]decan-1-yl)benzamide CAS Name: (E)-2-butenedioic acid; 4-methyl-N-(4-methyl-4-azaspiro[4.5]decan-1-yl)benzamide IUPAC Name: (E)-but-2-enedioic acid; 4-methyl-N-(4-methyl-4-azaspiro[4.5]decan-1-yl)benzamide Traditional Name: fumaric acid; 4-methyl-N-(4-methyl-4-azaspiro[4.5]decan-1-yl)benzamide Formula: C22H30N2O5 MolecularWeight: 402.484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2CCN(C23CCCCC3)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2CCN(C23CCCCC3)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H26N2O.C4H4O4/c1-14-6-8-15(9-7-14)17(21)19-16-10-13-20(2)18(16)11-4-3-5-12-18;5-3(6)1-2-4(7)8/h6-9,16H,3-5,10-13H2,1-2H3,(H,19,21);1-2H,(H,5,6)(H,7,8)/b;2-1+