1-[(3S)-3-[(3,4-dimethylphenyl)amino]piperidin-1-yl]-2-(4-ethanoylphenoxy)ethanone

Systemtic Name: 1-[(3S)-3-[(3,4-dimethylphenyl)amino]piperidin-1-yl]-2-(4-ethanoylphenoxy)ethanone Openeye Name: 2-(4-acetylphenoxy)-1-[(3S)-3-(3,4-dimethylanilino)-1-piperidyl]ethanone CAS Name: 2-(4-acetylphenoxy)-1-[(3S)-3-(3,4-dimethylanilino)-1-piperidinyl]ethanone IUPAC Name: 2-(4-acetylphenoxy)-1-[(3S)-3-(3,4-dimethylanilino)piperidin-1-yl]ethanone Traditional Name: 2-(4-acetylphenoxy)-1-[(3S)-3-(3,4-dimethylanilino)piperidino]ethanone Formula: C23H28N2O3 MolecularWeight: 380.48002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2CCCN(C2)C(=O)COC3=CC=C(C=C3)C(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N[C@H]2CCCN(C2)C(=O)COC3=CC=C(C=C3)C(=O)C)C

InChI

InChI=1S/C23H28N2O3/c1-16-6-9-20(13-17(16)2)24-21-5-4-12-25(14-21)23(27)15-28-22-10-7-19(8-11-22)18(3)26/h6-11,13,21,24H,4-5,12,14-15H2,1-3H3/t21-/m0/s1