(3S)-1-[(3,5-dimethyl-1-benzofuran-2-yl)carbonyl]-N,N-diethyl-piperidine-3-carboxamide

Systemtic Name: (3S)-1-[(3,5-dimethyl-1-benzofuran-2-yl)carbonyl]-N,N-diethyl-piperidine-3-carboxamide Openeye Name: (3S)-1-(3,5-dimethylbenzofuran-2-carbonyl)-N,N-diethyl-piperidine-3-carboxamide CAS Name: (3S)-1-[(3,5-dimethyl-2-benzofuranyl)-oxomethyl]-N,N-diethyl-3-piperidinecarboxamide IUPAC Name: (3S)-1-(3,5-dimethyl-1-benzofuran-2-carbonyl)-N,N-diethylpiperidine-3-carboxamide Traditional Name: (3S)-1-(3,5-dimethylbenzofuran-2-carbonyl)-N,N-diethyl-nipecotamide Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CCCN(C1)C(=O)C2=C(C3=C(O2)C=CC(=C3)C)C

Isomeric SMILES

CCN(CC)C(=O)[C@H]1CCCN(C1)C(=O)C2=C(C3=C(O2)C=CC(=C3)C)C

InChI

InChI=1S/C21H28N2O3/c1-5-22(6-2)20(24)16-8-7-11-23(13-16)21(25)19-15(4)17-12-14(3)9-10-18(17)26-19/h9-10,12,16H,5-8,11,13H2,1-4H3/t16-/m0/s1