2-[[1-(cycloheptylmethyl)piperidin-4-yl]methyl]-5,6-diethoxy-2-fluoranyl-3H-inden-1-one

Systemtic Name: 2-[[1-(cycloheptylmethyl)piperidin-4-yl]methyl]-5,6-diethoxy-2-fluoranyl-3H-inden-1-one Openeye Name: 2-[[1-(cycloheptylmethyl)-4-piperidyl]methyl]-5,6-diethoxy-2-fluoro-indan-1-one CAS Name: 2-[[1-(cycloheptylmethyl)-4-piperidinyl]methyl]-5,6-diethoxy-2-fluoro-3H-inden-1-one IUPAC Name: 2-[[1-(cycloheptylmethyl)piperidin-4-yl]methyl]-5,6-diethoxy-2-fluoro-3H-inden-1-one Traditional Name: 2-[[1-(cycloheptylmethyl)-4-piperidyl]methyl]-5,6-diethoxy-2-fluoro-indan-1-one Formula: C27H40FNO3 MolecularWeight: 445.609803

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(C2=O)(CC3CCN(CC3)CC4CCCCCC4)F)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CC(C2=O)(CC3CCN(CC3)CC4CCCCCC4)F)OCC

InChI

InChI=1S/C27H40FNO3/c1-3-31-24-15-22-18-27(28,26(30)23(22)16-25(24)32-4-2)17-20-11-13-29(14-12-20)19-21-9-7-5-6-8-10-21/h15-16,20-21H,3-14,17-19H2,1-2H3