(E)-but-2-enedioic acid; N',N'-dimethyl-N-phenyl-propane-1,3-diamine

Systemtic Name: (E)-but-2-enedioic acid; N',N'-dimethyl-N-phenyl-propane-1,3-diamine Openeye Name: N',N'-dimethyl-N-phenyl-propane-1,3-diamine; fumaric acid CAS Name: (E)-2-butenedioic acid; N',N'-dimethyl-N-phenylpropane-1,3-diamine IUPAC Name: (E)-but-2-enedioic acid; N',N'-dimethyl-N-phenylpropane-1,3-diamine Traditional Name: 3-anilinopropyl(dimethyl)amine; fumaric acid Formula: C15H22N2O4 MolecularWeight: 294.34618

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC1=CC=CC=C1.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)CCCNC1=CC=CC=C1.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C11H18N2.C4H4O4/c1-13(2)10-6-9-12-11-7-4-3-5-8-11;5-3(6)1-2-4(7)8/h3-5,7-8,12H,6,9-10H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+