(E)-but-2-enedioic acid; 2-(dimethylaminomethyl)-1-phenyl-butan-1-one

Systemtic Name: (E)-but-2-enedioic acid; 2-(dimethylaminomethyl)-1-phenyl-butan-1-one Openeye Name: 2-(dimethylaminomethyl)-1-phenyl-butan-1-one; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-(dimethylaminomethyl)-1-phenyl-1-butanone IUPAC Name: (E)-but-2-enedioic acid; 2-(dimethylaminomethyl)-1-phenylbutan-1-one Traditional Name: 2-(dimethylaminomethyl)-1-phenyl-butan-1-one; fumaric acid Formula: C17H23NO5 MolecularWeight: 321.36822

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN(C)C)C(=O)C1=CC=CC=C1.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCC(CN(C)C)C(=O)C1=CC=CC=C1.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H19NO.C4H4O4/c1-4-11(10-14(2)3)13(15)12-8-6-5-7-9-12;5-3(6)1-2-4(7)8/h5-9,11H,4,10H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+