(E)-but-2-enedioic acid; 1-(phenylmethyl)-N-(3-phenylprop-2-ynyl)piperidin-4-amine

Systemtic Name: (E)-but-2-enedioic acid; 1-(phenylmethyl)-N-(3-phenylprop-2-ynyl)piperidin-4-amine Openeye Name: 1-benzyl-N-(3-phenylprop-2-ynyl)piperidin-4-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-(phenylmethyl)-N-(3-phenylprop-2-ynyl)-4-piperidinamine IUPAC Name: 1-benzyl-N-(3-phenylprop-2-ynyl)piperidin-4-amine; (E)-but-2-enedioic acid Traditional Name: (1-benzyl-4-piperidyl)-(3-phenylprop-2-ynyl)amine; fumaric acid Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NCC#CC2=CC=CC=C2)CC3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCC1NCC#CC2=CC=CC=C2)CC3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C21H24N2.C4H4O4/c1-3-8-19(9-4-1)12-7-15-22-21-13-16-23(17-14-21)18-20-10-5-2-6-11-20;5-3(6)1-2-4(7)8/h1-6,8-11,21-22H,13-18H2;1-2H,(H,5,6)(H,7,8)/b;2-1+