ethyl 1-[[5-bromanyl-2-[(4-chlorophenyl)methoxy]phenyl]methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[5-bromanyl-2-[(4-chlorophenyl)methoxy]phenyl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]piperidine-4-carboxylate CAS Name: 1-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]piperidine-4-carboxylate Traditional Name: 1-[5-bromo-2-(4-chlorobenzyl)oxy-benzyl]isonipecotic acid ethyl ester Formula: C22H25BrClNO3 MolecularWeight: 466.7958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CC2=C(C=CC(=C2)Br)OCC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CC2=C(C=CC(=C2)Br)OCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H25BrClNO3/c1-2-27-22(26)17-9-11-25(12-10-17)14-18-13-19(23)5-8-21(18)28-15-16-3-6-20(24)7-4-16/h3-8,13,17H,2,9-12,14-15H2,1H3