3-[(3-chloranyl-2-fluoranyl-phenyl)methoxy]-5-oxidanyl-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylate

Systemtic Name: 3-[(3-chloranyl-2-fluoranyl-phenyl)methoxy]-5-oxidanyl-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylate Openeye Name: 4-[4-(3-benzyloxypropoxy)phenyl]-3-[(3-chloro-2-fluoro-phenyl)methoxy]-5-hydroxy-piperidine-1-carboxylate CAS Name: 3-[(3-chloro-2-fluorophenyl)methoxy]-5-hydroxy-4-[4-(3-phenylmethoxypropoxy)phenyl]-1-piperidinecarboxylate IUPAC Name: 3-[(3-chloro-2-fluorophenyl)methoxy]-5-hydroxy-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylate Traditional Name: 4-[4-(3-benzoxypropoxy)phenyl]-3-(3-chloro-2-fluoro-benzyl)oxy-5-hydroxy-piperidine-1-carboxylate Formula: C29H30ClFNO6- MolecularWeight: 543.003003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(CN1C(=O)[O-])OCC2=C(C(=CC=C2)Cl)F)C3=CC=C(C=C3)OCCCOCC4=CC=CC=C4)O

Isomeric SMILES

C1C(C(C(CN1C(=O)[O-])OCC2=C(C(=CC=C2)Cl)F)C3=CC=C(C=C3)OCCCOCC4=CC=CC=C4)O

InChI

InChI=1S/C29H31ClFNO6/c30-24-9-4-8-22(28(24)31)19-38-26-17-32(29(34)35)16-25(33)27(26)21-10-12-23(13-11-21)37-15-5-14-36-18-20-6-2-1-3-7-20/h1-4,6-13,25-27,33H,5,14-19H2,(H,34,35)/p-1