(E)-but-2-enedioic acid; 3-(dimethylamino)-2-methyl-1-phenyl-propan-1-one

Systemtic Name: (E)-but-2-enedioic acid; 3-(dimethylamino)-2-methyl-1-phenyl-propan-1-one Openeye Name: 3-(dimethylamino)-2-methyl-1-phenyl-propan-1-one; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-(dimethylamino)-2-methyl-1-phenyl-1-propanone IUPAC Name: (E)-but-2-enedioic acid; 3-(dimethylamino)-2-methyl-1-phenylpropan-1-one Traditional Name: 3-(dimethylamino)-2-methyl-1-phenyl-propan-1-one; fumaric acid Formula: C16H21NO5 MolecularWeight: 307.34164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO.C4H4O4/c1-10(9-13(2)3)12(14)11-7-5-4-6-8-11;5-3(6)1-2-4(7)8/h4-8,10H,9H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+