(3S)-1-(2-bromanyl-5-methoxy-phenyl)carbonyl-N-phenyl-piperidine-3-carboxamide

Systemtic Name: (3S)-1-(2-bromanyl-5-methoxy-phenyl)carbonyl-N-phenyl-piperidine-3-carboxamide Openeye Name: (3S)-1-(2-bromo-5-methoxy-benzoyl)-N-phenyl-piperidine-3-carboxamide CAS Name: (3S)-1-[(2-bromo-5-methoxyphenyl)-oxomethyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: (3S)-1-(2-bromo-5-methoxybenzoyl)-N-phenylpiperidine-3-carboxamide Traditional Name: (3S)-1-(2-bromo-5-methoxy-benzoyl)-N-phenyl-nipecotamide Formula: C20H21BrN2O3 MolecularWeight: 417.29634

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C(=O)N2CCCC(C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=C(C=C1)Br)C(=O)N2CCC[C@@H](C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H21BrN2O3/c1-26-16-9-10-18(21)17(12-16)20(25)23-11-5-6-14(13-23)19(24)22-15-7-3-2-4-8-15/h2-4,7-10,12,14H,5-6,11,13H2,1H3,(H,22,24)/t14-/m0/s1