(E)-but-2-enedioic acid; 4-[3-[5-chloranyl-1-(4-fluorophenyl)indol-3-yl]propyl]morpholine

Systemtic Name: (E)-but-2-enedioic acid; 4-[3-[5-chloranyl-1-(4-fluorophenyl)indol-3-yl]propyl]morpholine Openeye Name: 4-[3-[5-chloro-1-(4-fluorophenyl)indol-3-yl]propyl]morpholine; fumaric acid CAS Name: (E)-2-butenedioic acid; 4-[3-[5-chloro-1-(4-fluorophenyl)-3-indolyl]propyl]morpholine IUPAC Name: (E)-but-2-enedioic acid; 4-[3-[5-chloro-1-(4-fluorophenyl)indol-3-yl]propyl]morpholine Traditional Name: 4-[3-[5-chloro-1-(4-fluorophenyl)indol-3-yl]propyl]morpholine; fumaric acid Formula: C25H26ClFN2O5 MolecularWeight: 488.935743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCC2=CN(C3=C2C=C(C=C3)Cl)C4=CC=C(C=C4)F.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1COCCN1CCCC2=CN(C3=C2C=C(C=C3)Cl)C4=CC=C(C=C4)F.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C21H22ClFN2O.C4H4O4/c22-17-3-8-21-20(14-17)16(2-1-9-24-10-12-26-13-11-24)15-25(21)19-6-4-18(23)5-7-19;5-3(6)1-2-4(7)8/h3-8,14-15H,1-2,9-13H2;1-2H,(H,5,6)(H,7,8)/b;2-1+