ethyl 1-(5-bromanyl-2-phenethyloxy-phenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-(5-bromanyl-2-phenethyloxy-phenyl)carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-(5-bromo-2-phenethyloxy-benzoyl)piperidine-4-carboxylate CAS Name: 1-[(5-bromo-2-phenethyloxyphenyl)-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(5-bromo-2-phenethyloxybenzoyl)piperidine-4-carboxylate Traditional Name: 1-(5-bromo-2-phenethyloxy-benzoyl)isonipecotic acid ethyl ester Formula: C23H26BrNO4 MolecularWeight: 460.36084

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

InChI

InChI=1S/C23H26BrNO4/c1-2-28-23(27)18-10-13-25(14-11-18)22(26)20-16-19(24)8-9-21(20)29-15-12-17-6-4-3-5-7-17/h3-9,16,18H,2,10-15H2,1H3