(3S)-1-[(2S)-2-(4-bromanylphenoxy)propanoyl]-N-phenyl-piperidine-3-carboxamide

Systemtic Name: (3S)-1-[(2S)-2-(4-bromanylphenoxy)propanoyl]-N-phenyl-piperidine-3-carboxamide Openeye Name: (3S)-1-[(2S)-2-(4-bromophenoxy)propanoyl]-N-phenyl-piperidine-3-carboxamide CAS Name: (3S)-1-[(2S)-2-(4-bromophenoxy)-1-oxopropyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: (3S)-1-[(2S)-2-(4-bromophenoxy)propanoyl]-N-phenylpiperidine-3-carboxamide Traditional Name: (3S)-1-[(2S)-2-(4-bromophenoxy)propanoyl]-N-phenyl-nipecotamide Formula: C21H23BrN2O3 MolecularWeight: 431.32292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC(C1)C(=O)NC2=CC=CC=C2)OC3=CC=C(C=C3)Br

Isomeric SMILES

C[C@@H](C(=O)N1CCC[C@@H](C1)C(=O)NC2=CC=CC=C2)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H23BrN2O3/c1-15(27-19-11-9-17(22)10-12-19)21(26)24-13-5-6-16(14-24)20(25)23-18-7-3-2-4-8-18/h2-4,7-12,15-16H,5-6,13-14H2,1H3,(H,23,25)/t15-,16-/m0/s1