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

Systemtic Name: (E)-but-2-enedioic acid; 2-(dimethylaminomethyl)-1-phenyl-pentan-1-one Openeye Name: 2-(dimethylaminomethyl)-1-phenyl-pentan-1-one; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-(dimethylaminomethyl)-1-phenyl-1-pentanone IUPAC Name: (E)-but-2-enedioic acid; 2-(dimethylaminomethyl)-1-phenylpentan-1-one Traditional Name: 2-(dimethylaminomethyl)-1-phenyl-pentan-1-one; fumaric acid Formula: C18H25NO5 MolecularWeight: 335.3948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21NO.C4H4O4/c1-4-8-13(11-15(2)3)14(16)12-9-6-5-7-10-12;5-3(6)1-2-4(7)8/h5-7,9-10,13H,4,8,11H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+