ethanedioic acid; 1-[2-[(5-methoxy-2-phenyl-1-benzofuran-7-yl)methylsulfanyl]ethyl]piperidine

Systemtic Name: ethanedioic acid; 1-[2-[(5-methoxy-2-phenyl-1-benzofuran-7-yl)methylsulfanyl]ethyl]piperidine Openeye Name: 1-[2-[(5-methoxy-2-phenyl-benzofuran-7-yl)methylsulfanyl]ethyl]piperidine; oxalic acid CAS Name: 1-[2-[(5-methoxy-2-phenyl-7-benzofuranyl)methylthio]ethyl]piperidine; oxalic acid IUPAC Name: 1-[2-[(5-methoxy-2-phenyl-1-benzofuran-7-yl)methylsulfanyl]ethyl]piperidine; oxalic acid Traditional Name: 1-[2-[(5-methoxy-2-phenyl-benzofuran-7-yl)methylthio]ethyl]piperidine; oxalic acid Formula: C25H29NO6S MolecularWeight: 471.56586

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C1)C=C(O2)C3=CC=CC=C3)CSCCN4CCCCC4.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=C2C(=C1)C=C(O2)C3=CC=CC=C3)CSCCN4CCCCC4.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H27NO2S.C2H2O4/c1-25-21-14-19-16-22(18-8-4-2-5-9-18)26-23(19)20(15-21)17-27-13-12-24-10-6-3-7-11-24;3-1(4)2(5)6/h2,4-5,8-9,14-16H,3,6-7,10-13,17H2,1H3;(H,3,4)(H,5,6)