(E)-but-2-enedioic acid; 2,2-diphenyl-3-piperidin-3-yl-propanenitrile

Systemtic Name: (E)-but-2-enedioic acid; 2,2-diphenyl-3-piperidin-3-yl-propanenitrile Openeye Name: 2,2-diphenyl-3-(3-piperidyl)propanenitrile; fumaric acid CAS Name: (E)-2-butenedioic acid; 2,2-diphenyl-3-(3-piperidinyl)propanenitrile IUPAC Name: (E)-but-2-enedioic acid; 2,2-diphenyl-3-piperidin-3-ylpropanenitrile Traditional Name: 2,2-diphenyl-3-(3-piperidyl)propionitrile; fumaric acid Formula: C24H26N2O4 MolecularWeight: 406.47424

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)CC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CC(CNC1)CC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H22N2.C4H4O4/c21-16-20(18-9-3-1-4-10-18,19-11-5-2-6-12-19)14-17-8-7-13-22-15-17;5-3(6)1-2-4(7)8/h1-6,9-12,17,22H,7-8,13-15H2;1-2H,(H,5,6)(H,7,8)/b;2-1+