3-(2-azanyl-2-phenyl-propyl)benzenecarbonitrile; (E)-but-2-enedioic acid

Systemtic Name: 3-(2-azanyl-2-phenyl-propyl)benzenecarbonitrile; (E)-but-2-enedioic acid Openeye Name: 3-(2-amino-2-phenyl-propyl)benzonitrile; fumaric acid CAS Name: 3-(2-amino-2-phenylpropyl)benzonitrile; (E)-2-butenedioic acid IUPAC Name: 3-(2-amino-2-phenylpropyl)benzonitrile; (E)-but-2-enedioic acid Traditional Name: 3-(2-amino-2-phenyl-propyl)benzonitrile; fumaric acid Formula: C20H20N2O4 MolecularWeight: 352.3838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC(=C1)C#N)(C2=CC=CC=C2)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(CC1=CC=CC(=C1)C#N)(C2=CC=CC=C2)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H16N2.C4H4O4/c1-16(18,15-8-3-2-4-9-15)11-13-6-5-7-14(10-13)12-17;5-3(6)1-2-4(7)8/h2-10H,11,18H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+