(5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl) (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: (5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl) (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: (5,5-dimethyl-3-oxo-cyclohexen-1-yl) (2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoate CAS Name: (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid (5,5-dimethyl-3-oxo-1-cyclohexenyl) ester IUPAC Name: (5,5-dimethyl-3-oxocyclohexen-1-yl) (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-phenyl-propionic acid (3-keto-5,5-dimethyl-cyclohexen-1-yl) ester Formula: C25H27NO5 MolecularWeight: 421.48558

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(=O)C1)OC(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)C

Isomeric SMILES

CC1(CC(=CC(=O)C1)OC(=O)[C@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)C

InChI

InChI=1S/C25H27NO5/c1-25(2)15-20(27)14-21(16-25)31-23(28)22(13-18-9-5-3-6-10-18)26-24(29)30-17-19-11-7-4-8-12-19/h3-12,14,22H,13,15-17H2,1-2H3,(H,26,29)/t22-/m0/s1