(5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl) (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: (5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl) (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: (5,5-dimethyl-3-oxo-cyclohexen-1-yl) (2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid (5,5-dimethyl-3-oxo-1-cyclohexenyl) ester IUPAC Name: (5,5-dimethyl-3-oxocyclohexen-1-yl) (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-methyl-butyric acid (3-keto-5,5-dimethyl-cyclohexen-1-yl) ester Formula: C21H27NO5 MolecularWeight: 373.44278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC1=CC(=O)CC(C1)(C)C)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)OC1=CC(=O)CC(C1)(C)C)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H27NO5/c1-14(2)18(22-20(25)26-13-15-8-6-5-7-9-15)19(24)27-17-10-16(23)11-21(3,4)12-17/h5-10,14,18H,11-13H2,1-4H3,(H,22,25)/t18-/m0/s1