(E)-but-2-enedioic acid; N-methyl-3-phenyl-N-[1-(phenylmethyl)piperidin-4-yl]prop-2-ynamide

Systemtic Name: (E)-but-2-enedioic acid; N-methyl-3-phenyl-N-[1-(phenylmethyl)piperidin-4-yl]prop-2-ynamide Openeye Name: N-(1-benzyl-4-piperidyl)-N-methyl-3-phenyl-prop-2-ynamide; fumaric acid CAS Name: (E)-2-butenedioic acid; N-methyl-3-phenyl-N-[1-(phenylmethyl)-4-piperidinyl]-2-propynamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-N-methyl-3-phenylprop-2-ynamide; (E)-but-2-enedioic acid Traditional Name: N-(1-benzyl-4-piperidyl)-N-methyl-3-phenyl-propiolamide; fumaric acid Formula: C26H28N2O5 MolecularWeight: 448.51092

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCN(CC1)CC2=CC=CC=C2)C(=O)C#CC3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C1CCN(CC1)CC2=CC=CC=C2)C(=O)C#CC3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C22H24N2O.C4H4O4/c1-23(22(25)13-12-19-8-4-2-5-9-19)21-14-16-24(17-15-21)18-20-10-6-3-7-11-20;5-3(6)1-2-4(7)8/h2-11,21H,14-18H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+