(E)-but-2-enedioic acid; 3-(4-pyridin-3-ylbutyl)-1,8-naphthyridin-2-amine

Systemtic Name: (E)-but-2-enedioic acid; 3-(4-pyridin-3-ylbutyl)-1,8-naphthyridin-2-amine Openeye Name: fumaric acid; 3-[4-(3-pyridyl)butyl]-1,8-naphthyridin-2-amine CAS Name: (E)-2-butenedioic acid; 3-[4-(3-pyridinyl)butyl]-1,8-naphthyridin-2-amine IUPAC Name: (E)-but-2-enedioic acid; 3-(4-pyridin-3-ylbutyl)-1,8-naphthyridin-2-amine Traditional Name: fumaric acid; [3-[4-(3-pyridyl)butyl]-1,8-naphthyridin-2-yl]amine Formula: C21H22N4O4 MolecularWeight: 394.42378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC(=C(N=C2N=C1)N)CCCCC3=CN=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC2=CC(=C(N=C2N=C1)N)CCCCC3=CN=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H18N4.C4H4O4/c18-16-14(11-15-8-4-10-20-17(15)21-16)7-2-1-5-13-6-3-9-19-12-13;5-3(6)1-2-4(7)8/h3-4,6,8-12H,1-2,5,7H2,(H2,18,20,21);1-2H,(H,5,6)(H,7,8)/b;2-1+