2-[6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-oxidanylidene-pyran-3-yl]oxyhexanoic acid

Systemtic Name: 2-[6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-oxidanylidene-pyran-3-yl]oxyhexanoic acid Openeye Name: 2-[6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-oxo-pyran-3-yl]oxyhexanoic acid CAS Name: 2-[[6-[[4-(2-fluorophenyl)-1-piperazinyl]methyl]-4-oxo-3-pyranyl]oxy]hexanoic acid IUPAC Name: 2-[6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxyhexanoic acid Traditional Name: 2-[6-[[4-(2-fluorophenyl)piperazino]methyl]-4-keto-pyran-3-yl]oxyhexanoic acid Formula: C22H27FN2O5 MolecularWeight: 418.458583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)OC1=COC(=CC1=O)CN2CCN(CC2)C3=CC=CC=C3F

Isomeric SMILES

CCCCC(C(=O)O)OC1=COC(=CC1=O)CN2CCN(CC2)C3=CC=CC=C3F

InChI

InChI=1S/C22H27FN2O5/c1-2-3-8-20(22(27)28)30-21-15-29-16(13-19(21)26)14-24-9-11-25(12-10-24)18-7-5-4-6-17(18)23/h4-7,13,15,20H,2-3,8-12,14H2,1H3,(H,27,28)