(6-methoxy-3-methyl-1-benzofuran-2-yl)-[(3R,4R)-3-oxidanyl-4-(4-oxidanylpiperidin-1-yl)piperidin-1-yl]methanone

Systemtic Name: (6-methoxy-3-methyl-1-benzofuran-2-yl)-[(3R,4R)-3-oxidanyl-4-(4-oxidanylpiperidin-1-yl)piperidin-1-yl]methanone Openeye Name: [(3R,4R)-3-hydroxy-4-(4-hydroxy-1-piperidyl)-1-piperidyl]-(6-methoxy-3-methyl-benzofuran-2-yl)methanone CAS Name: [(3R,4R)-3-hydroxy-4-(4-hydroxy-1-piperidinyl)-1-piperidinyl]-(6-methoxy-3-methyl-2-benzofuranyl)methanone IUPAC Name: [(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanone Traditional Name: [(3R,4R)-3-hydroxy-4-(4-hydroxypiperidino)piperidino]-(6-methoxy-3-methyl-benzofuran-2-yl)methanone Formula: C21H28N2O5 MolecularWeight: 388.45742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=CC(=C2)OC)C(=O)N3CCC(C(C3)O)N4CCC(CC4)O

Isomeric SMILES

CC1=C(OC2=C1C=CC(=C2)OC)C(=O)N3CC[C@H]([C@@H](C3)O)N4CCC(CC4)O

InChI

InChI=1S/C21H28N2O5/c1-13-16-4-3-15(27-2)11-19(16)28-20(13)21(26)23-10-7-17(18(25)12-23)22-8-5-14(24)6-9-22/h3-4,11,14,17-18,24-25H,5-10,12H2,1-2H3/t17-,18-/m1/s1