(E)-but-2-enedioic acid; [2-(3,4-dihydronaphthalen-2-yl)pyridin-4-yl]methanamine

Systemtic Name: (E)-but-2-enedioic acid; [2-(3,4-dihydronaphthalen-2-yl)pyridin-4-yl]methanamine Openeye Name: [2-(3,4-dihydronaphthalen-2-yl)-4-pyridyl]methanamine; fumaric acid CAS Name: (E)-2-butenedioic acid; [2-(3,4-dihydronaphthalen-2-yl)-4-pyridinyl]methanamine IUPAC Name: (E)-but-2-enedioic acid; [2-(3,4-dihydronaphthalen-2-yl)pyridin-4-yl]methanamine Traditional Name: [2-(3,4-dihydronaphthalen-2-yl)-4-pyridyl]methylamine; fumaric acid Formula: C20H20N2O4 MolecularWeight: 352.3838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC2=CC=CC=C21)C3=NC=CC(=C3)CN.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CC(=CC2=CC=CC=C21)C3=NC=CC(=C3)CN.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H16N2.C4H4O4/c17-11-12-7-8-18-16(9-12)15-6-5-13-3-1-2-4-14(13)10-15;5-3(6)1-2-4(7)8/h1-4,7-10H,5-6,11,17H2;1-2H,(H,5,6)(H,7,8)/b;2-1+