3,3-dimethyl-1-[(2S)-2-(4-phenylbutanoyl)piperidin-1-yl]pentane-1,2-dione

Systemtic Name: 3,3-dimethyl-1-[(2S)-2-(4-phenylbutanoyl)piperidin-1-yl]pentane-1,2-dione Openeye Name: 3,3-dimethyl-1-[(2S)-2-(4-phenylbutanoyl)-1-piperidyl]pentane-1,2-dione CAS Name: 3,3-dimethyl-1-[(2S)-2-(1-oxo-4-phenylbutyl)-1-piperidinyl]pentane-1,2-dione IUPAC Name: 3,3-dimethyl-1-[(2S)-2-(4-phenylbutanoyl)piperidin-1-yl]pentane-1,2-dione Traditional Name: 3,3-dimethyl-1-[(2S)-2-(4-phenylbutanoyl)piperidino]pentane-1,2-dione Formula: C22H31NO3 MolecularWeight: 357.48644

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)CCCC2=CC=CC=C2

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)CCCC2=CC=CC=C2

InChI

InChI=1S/C22H31NO3/c1-4-22(2,3)20(25)21(26)23-16-9-8-14-18(23)19(24)15-10-13-17-11-6-5-7-12-17/h5-7,11-12,18H,4,8-10,13-16H2,1-3H3/t18-/m0/s1