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

Systemtic Name: (E)-but-2-enedioic acid; N-phenyl-1-(phenylmethyl)-N-(3-phenylprop-2-ynyl)piperidin-4-amine Openeye Name: 1-benzyl-N-phenyl-N-(3-phenylprop-2-ynyl)piperidin-4-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; N-phenyl-1-(phenylmethyl)-N-(3-phenylprop-2-ynyl)-4-piperidinamine IUPAC Name: 1-benzyl-N-phenyl-N-(3-phenylprop-2-ynyl)piperidin-4-amine; (E)-but-2-enedioic acid Traditional Name: (1-benzyl-4-piperidyl)-phenyl-(3-phenylprop-2-ynyl)amine; fumaric acid Formula: C31H32N2O4 MolecularWeight: 496.59678

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N(CC#CC2=CC=CC=C2)C3=CC=CC=C3)CC4=CC=CC=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCC1N(CC#CC2=CC=CC=C2)C3=CC=CC=C3)CC4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C27H28N2.C4H4O4/c1-4-11-24(12-5-1)15-10-20-29(26-16-8-3-9-17-26)27-18-21-28(22-19-27)23-25-13-6-2-7-14-25;5-3(6)1-2-4(7)8/h1-9,11-14,16-17,27H,18-23H2;1-2H,(H,5,6)(H,7,8)/b;2-1+