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

Systemtic Name: (4,5,5-trimethyl-3-oxidanylidene-cyclohexen-1-yl) (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: (4,5,5-trimethyl-3-oxo-cyclohexen-1-yl) (2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid (4,5,5-trimethyl-3-oxo-1-cyclohexenyl) ester IUPAC Name: (4,5,5-trimethyl-3-oxocyclohexen-1-yl) (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-methyl-butyric acid (3-keto-4,5,5-trimethyl-cyclohexen-1-yl) ester Formula: C22H29NO5 MolecularWeight: 387.46936

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)C=C(CC1(C)C)OC(=O)C(C(C)C)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1C(=O)C=C(CC1(C)C)OC(=O)[C@H](C(C)C)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H29NO5/c1-14(2)19(23-21(26)27-13-16-9-7-6-8-10-16)20(25)28-17-11-18(24)15(3)22(4,5)12-17/h6-11,14-15,19H,12-13H2,1-5H3,(H,23,26)/t15?,19-/m0/s1