(4,4,5,5-tetramethyl-3-oxidanylidene-cyclohexen-1-yl) (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: (4,4,5,5-tetramethyl-3-oxidanylidene-cyclohexen-1-yl) (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: (4,4,5,5-tetramethyl-3-oxo-cyclohexen-1-yl) (2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid (4,4,5,5-tetramethyl-3-oxo-1-cyclohexenyl) ester IUPAC Name: (4,4,5,5-tetramethyl-3-oxocyclohexen-1-yl) (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-methyl-butyric acid (3-keto-4,4,5,5-tetramethyl-cyclohexen-1-yl) ester Formula: C23H31NO5 MolecularWeight: 401.49594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31NO5/c1-15(2)19(24-21(27)28-14-16-10-8-7-9-11-16)20(26)29-17-12-18(25)23(5,6)22(3,4)13-17/h7-12,15,19H,13-14H2,1-6H3,(H,24,27)/t19-/m0/s1