methyl 1-[2-(2-bromanyl-4-chloranyl-phenoxy)ethanoyl]-4-phenyl-piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-(2-bromanyl-4-chloranyl-phenoxy)ethanoyl]-4-phenyl-piperidine-4-carboxylate Openeye Name: methyl 1-[2-(2-bromo-4-chloro-phenoxy)acetyl]-4-phenyl-piperidine-4-carboxylate CAS Name: 1-[2-(2-bromo-4-chlorophenoxy)-1-oxoethyl]-4-phenyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(2-bromo-4-chlorophenoxy)acetyl]-4-phenylpiperidine-4-carboxylate Traditional Name: 1-[2-(2-bromo-4-chloro-phenoxy)acetyl]-4-phenyl-isonipecotic acid methyl ester Formula: C21H21BrClNO4 MolecularWeight: 466.75274

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCN(CC1)C(=O)COC2=C(C=C(C=C2)Cl)Br)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1(CCN(CC1)C(=O)COC2=C(C=C(C=C2)Cl)Br)C3=CC=CC=C3

InChI

InChI=1S/C21H21BrClNO4/c1-27-20(26)21(15-5-3-2-4-6-15)9-11-24(12-10-21)19(25)14-28-18-8-7-16(23)13-17(18)22/h2-8,13H,9-12,14H2,1H3