(E)-but-2-enedioic acid; 3-(4-ethylphenoxy)-N,N-dimethyl-3-pyridin-3-yl-propan-1-amine

Systemtic Name: (E)-but-2-enedioic acid; 3-(4-ethylphenoxy)-N,N-dimethyl-3-pyridin-3-yl-propan-1-amine Openeye Name: 3-(4-ethylphenoxy)-N,N-dimethyl-3-(3-pyridyl)propan-1-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-(4-ethylphenoxy)-N,N-dimethyl-3-(3-pyridinyl)-1-propanamine IUPAC Name: (E)-but-2-enedioic acid; 3-(4-ethylphenoxy)-N,N-dimethyl-3-pyridin-3-ylpropan-1-amine Traditional Name: [3-(4-ethylphenoxy)-3-(3-pyridyl)propyl]-dimethyl-amine; fumaric acid Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC(CCN(C)C)C2=CN=CC=C2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)OC(CCN(C)C)C2=CN=CC=C2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H24N2O.C4H4O4/c1-4-15-7-9-17(10-8-15)21-18(11-13-20(2)3)16-6-5-12-19-14-16;5-3(6)1-2-4(7)8/h5-10,12,14,18H,4,11,13H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+