(E)-but-2-enedioic acid; 3-piperidin-4-yl-4-propyl-5-pyrimidin-2-yloxy-1,2-benzoxazole

Systemtic Name: (E)-but-2-enedioic acid; 3-piperidin-4-yl-4-propyl-5-pyrimidin-2-yloxy-1,2-benzoxazole Openeye Name: fumaric acid; 3-(4-piperidyl)-4-propyl-5-pyrimidin-2-yloxy-1,2-benzoxazole CAS Name: (E)-2-butenedioic acid; 3-(4-piperidinyl)-4-propyl-5-(2-pyrimidinyloxy)-1,2-benzoxazole IUPAC Name: (E)-but-2-enedioic acid; 3-piperidin-4-yl-4-propyl-5-pyrimidin-2-yloxy-1,2-benzoxazole Traditional Name: fumaric acid; 3-(4-piperidyl)-4-propyl-5-(2-pyrimidyloxy)indoxazene Formula: C23H26N4O6 MolecularWeight: 454.47574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1C(=NO2)C3CCNCC3)OC4=NC=CC=N4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC2=C1C(=NO2)C3CCNCC3)OC4=NC=CC=N4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H22N4O2.C4H4O4/c1-2-4-14-15(24-19-21-9-3-10-22-19)5-6-16-17(14)18(23-25-16)13-7-11-20-12-8-13;5-3(6)1-2-4(7)8/h3,5-6,9-10,13,20H,2,4,7-8,11-12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+