(E)-but-2-enedioic acid; 1-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)-2-methoxy-propyl]-4-phenyl-piperidine

Systemtic Name: (E)-but-2-enedioic acid; 1-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)-2-methoxy-propyl]-4-phenyl-piperidine Openeye Name: fumaric acid; 1-(2-methoxy-3-thiochroman-8-yloxy-propyl)-4-phenyl-piperidine CAS Name: (E)-2-butenedioic acid; 1-[3-(3,4-dihydro-2H-1-benzothiopyran-8-yloxy)-2-methoxypropyl]-4-phenylpiperidine IUPAC Name: (E)-but-2-enedioic acid; 1-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)-2-methoxypropyl]-4-phenylpiperidine Traditional Name: fumaric acid; 1-(2-methoxy-3-thiochroman-8-yloxy-propyl)-4-phenyl-piperidine Formula: C28H35NO6S MolecularWeight: 513.6456

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Descriptors Computed from Structure

Canonical SMILES:

COC(CN1CCC(CC1)C2=CC=CC=C2)COC3=CC=CC4=C3SCCC4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

COC(CN1CCC(CC1)C2=CC=CC=C2)COC3=CC=CC4=C3SCCC4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C24H31NO2S.C4H4O4/c1-26-22(18-27-23-11-5-9-21-10-6-16-28-24(21)23)17-25-14-12-20(13-15-25)19-7-3-2-4-8-19;5-3(6)1-2-4(7)8/h2-5,7-9,11,20,22H,6,10,12-18H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+