(E)-but-2-enedioic acid; 3-[2-(1-phenethylpiperidin-4-yl)ethoxy]-1,2-benzoxazole

Systemtic Name: (E)-but-2-enedioic acid; 3-[2-(1-phenethylpiperidin-4-yl)ethoxy]-1,2-benzoxazole Openeye Name: fumaric acid; 3-[2-(1-phenethyl-4-piperidyl)ethoxy]-1,2-benzoxazole CAS Name: (E)-2-butenedioic acid; 3-[2-(1-phenethyl-4-piperidinyl)ethoxy]-1,2-benzoxazole IUPAC Name: (E)-but-2-enedioic acid; 3-[2-(1-phenethylpiperidin-4-yl)ethoxy]-1,2-benzoxazole Traditional Name: fumaric acid; 3-[2-(1-phenethyl-4-piperidyl)ethoxy]indoxazene Formula: C26H30N2O6 MolecularWeight: 466.5262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCOC2=NOC3=CC=CC=C32)CCC4=CC=CC=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCC1CCOC2=NOC3=CC=CC=C32)CCC4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C22H26N2O2.C4H4O4/c1-2-6-18(7-3-1)10-14-24-15-11-19(12-16-24)13-17-25-22-20-8-4-5-9-21(20)26-23-22;5-3(6)1-2-4(7)8/h1-9,19H,10-17H2;1-2H,(H,5,6)(H,7,8)/b;2-1+