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

Systemtic Name: (E)-but-2-enedioic acid; 4-[2-[5-chloranyl-1-(4-fluorophenyl)indol-3-yl]ethyl]morpholine Openeye Name: 4-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]ethyl]morpholine; fumaric acid CAS Name: (E)-2-butenedioic acid; 4-[2-[5-chloro-1-(4-fluorophenyl)-3-indolyl]ethyl]morpholine IUPAC Name: (E)-but-2-enedioic acid; 4-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]ethyl]morpholine Traditional Name: 4-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]ethyl]morpholine; fumaric acid Formula: C24H24ClFN2O5 MolecularWeight: 474.909163

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCC2=CN(C3=C2C=C(C=C3)Cl)C4=CC=C(C=C4)F.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1COCCN1CCC2=CN(C3=C2C=C(C=C3)Cl)C4=CC=C(C=C4)F.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H20ClFN2O.C4H4O4/c21-16-1-6-20-19(13-16)15(7-8-23-9-11-25-12-10-23)14-24(20)18-4-2-17(22)3-5-18;5-3(6)1-2-4(7)8/h1-6,13-14H,7-12H2;1-2H,(H,5,6)(H,7,8)/b;2-1+