[(2S,3R)-2-[(2S)-but-3-en-2-yl]-6-oxidanylidene-1-phenylmethoxy-piperidin-3-yl] 2,2-dimethylpropanoate

Systemtic Name: [(2S,3R)-2-[(2S)-but-3-en-2-yl]-6-oxidanylidene-1-phenylmethoxy-piperidin-3-yl] 2,2-dimethylpropanoate Openeye Name: [(2S,3R)-1-benzyloxy-2-[(1S)-1-methylallyl]-6-oxo-3-piperidyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(2S,3R)-2-[(2S)-but-3-en-2-yl]-6-oxo-1-phenylmethoxy-3-piperidinyl] ester IUPAC Name: [(2S,3R)-2-[(2S)-but-3-en-2-yl]-6-oxo-1-phenylmethoxypiperidin-3-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(2S,3R)-1-benzoxy-6-keto-2-[(1S)-1-methylallyl]-3-piperidyl] ester Formula: C21H29NO4 MolecularWeight: 359.45926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=C)C1C(CCC(=O)N1OCC2=CC=CC=C2)OC(=O)C(C)(C)C

Isomeric SMILES

C[C@@H](C=C)[C@H]1[C@@H](CCC(=O)N1OCC2=CC=CC=C2)OC(=O)C(C)(C)C

InChI

InChI=1S/C21H29NO4/c1-6-15(2)19-17(26-20(24)21(3,4)5)12-13-18(23)22(19)25-14-16-10-8-7-9-11-16/h6-11,15,17,19H,1,12-14H2,2-5H3/t15-,17+,19-/m0/s1