O5-[[(3S,4R)-4-(4-fluorophenyl)-1-phenoxycarbonyl-piperidin-3-yl]methyl] O1-methyl pentanedioate

Systemtic Name: O5-[[(3S,4R)-4-(4-fluorophenyl)-1-phenoxycarbonyl-piperidin-3-yl]methyl] O1-methyl pentanedioate Openeye Name: O5-[[(3S,4R)-4-(4-fluorophenyl)-1-phenoxycarbonyl-3-piperidyl]methyl] O1-methyl pentanedioate CAS Name: pentanedioic acid O5-[[(3S,4R)-4-(4-fluorophenyl)-1-[oxo(phenoxy)methyl]-3-piperidinyl]methyl] ester O1-methyl ester IUPAC Name: 5-O-[[(3S,4R)-4-(4-fluorophenyl)-1-phenoxycarbonylpiperidin-3-yl]methyl] 1-O-methyl pentanedioate Traditional Name: glutaric acid O5-[[(3S,4R)-1-carbophenoxy-4-(4-fluorophenyl)-3-piperidyl]methyl] ester O1-methyl ester Formula: C25H28FNO6 MolecularWeight: 457.491323

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC(=O)OCC1CN(CCC1C2=CC=C(C=C2)F)C(=O)OC3=CC=CC=C3

Isomeric SMILES

COC(=O)CCCC(=O)OC[C@@H]1CN(CC[C@H]1C2=CC=C(C=C2)F)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C25H28FNO6/c1-31-23(28)8-5-9-24(29)32-17-19-16-27(25(30)33-21-6-3-2-4-7-21)15-14-22(19)18-10-12-20(26)13-11-18/h2-4,6-7,10-13,19,22H,5,8-9,14-17H2,1H3/t19-,22-/m0/s1