(E)-but-2-enedioic acid; N-(2-dimethylaminoethyl)-N-phenyl-ethanamide

Systemtic Name: (E)-but-2-enedioic acid; N-(2-dimethylaminoethyl)-N-phenyl-ethanamide Openeye Name: N-(2-dimethylaminoethyl)-N-phenyl-acetamide; fumaric acid CAS Name: (E)-2-butenedioic acid; N-(2-dimethylaminoethyl)-N-phenylacetamide IUPAC Name: (E)-but-2-enedioic acid; N-(2-dimethylaminoethyl)-N-phenylacetamide Traditional Name: N-(2-dimethylaminoethyl)-N-phenyl-acetamide; fumaric acid Formula: C16H22N2O5 MolecularWeight: 322.35628

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CCN(C)C)C1=CC=CC=C1.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(=O)N(CCN(C)C)C1=CC=CC=C1.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H18N2O.C4H4O4/c1-11(15)14(10-9-13(2)3)12-7-5-4-6-8-12;5-3(6)1-2-4(7)8/h4-8H,9-10H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+