(3S)-1-[2-(2-bromanyl-4-chloranyl-phenoxy)ethanoyl]-N-phenyl-piperidine-3-carboxamide

Systemtic Name: (3S)-1-[2-(2-bromanyl-4-chloranyl-phenoxy)ethanoyl]-N-phenyl-piperidine-3-carboxamide Openeye Name: (3S)-1-[2-(2-bromo-4-chloro-phenoxy)acetyl]-N-phenyl-piperidine-3-carboxamide CAS Name: (3S)-1-[2-(2-bromo-4-chlorophenoxy)-1-oxoethyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: (3S)-1-[2-(2-bromo-4-chlorophenoxy)acetyl]-N-phenylpiperidine-3-carboxamide Traditional Name: (3S)-1-[2-(2-bromo-4-chloro-phenoxy)acetyl]-N-phenyl-nipecotamide Formula: C20H20BrClN2O3 MolecularWeight: 451.7414

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)COC2=C(C=C(C=C2)Cl)Br)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)COC2=C(C=C(C=C2)Cl)Br)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H20BrClN2O3/c21-17-11-15(22)8-9-18(17)27-13-19(25)24-10-4-5-14(12-24)20(26)23-16-6-2-1-3-7-16/h1-3,6-9,11,14H,4-5,10,12-13H2,(H,23,26)/t14-/m0/s1