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

Systemtic Name: (E)-but-2-enedioic acid; 3-phenyl-N-[1-(phenylmethyl)piperidin-4-yl]prop-2-ynamide Openeye Name: N-(1-benzyl-4-piperidyl)-3-phenyl-prop-2-ynamide; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-phenyl-N-[1-(phenylmethyl)-4-piperidinyl]-2-propynamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-3-phenylprop-2-ynamide; (E)-but-2-enedioic acid Traditional Name: N-(1-benzyl-4-piperidyl)-3-phenyl-propiolamide; fumaric acid Formula: C25H26N2O5 MolecularWeight: 434.48434

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)C#CC2=CC=CC=C2)CC3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCC1NC(=O)C#CC2=CC=CC=C2)CC3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C21H22N2O.C4H4O4/c24-21(12-11-18-7-3-1-4-8-18)22-20-13-15-23(16-14-20)17-19-9-5-2-6-10-19;5-3(6)1-2-4(7)8/h1-10,20H,13-17H2,(H,22,24);1-2H,(H,5,6)(H,7,8)/b;2-1+