(phenylmethyl) (1S,2R,6R)-2-oxidanyl-4-oxidanylidene-2-phenyl-6-pyridin-2-yl-cyclohexane-1-carboxylate

Systemtic Name: (phenylmethyl) (1S,2R,6R)-2-oxidanyl-4-oxidanylidene-2-phenyl-6-pyridin-2-yl-cyclohexane-1-carboxylate Openeye Name: benzyl (1S,2R,6R)-2-hydroxy-4-oxo-2-phenyl-6-(2-pyridyl)cyclohexanecarboxylate CAS Name: (1S,2R,6R)-2-hydroxy-4-oxo-2-phenyl-6-(2-pyridinyl)-1-cyclohexanecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (1S,2R,6R)-2-hydroxy-4-oxo-2-phenyl-6-pyridin-2-ylcyclohexane-1-carboxylate Traditional Name: (1S,2R,6R)-2-hydroxy-4-keto-2-phenyl-6-(2-pyridyl)cyclohexanecarboxylic acid benzyl ester Formula: C25H23NO4 MolecularWeight: 401.45442

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(CC1=O)(C2=CC=CC=C2)O)C(=O)OCC3=CC=CC=C3)C4=CC=CC=N4

Isomeric SMILES

C1[C@H]([C@@H]([C@](CC1=O)(C2=CC=CC=C2)O)C(=O)OCC3=CC=CC=C3)C4=CC=CC=N4

InChI

InChI=1S/C25H23NO4/c27-20-15-21(22-13-7-8-14-26-22)23(24(28)30-17-18-9-3-1-4-10-18)25(29,16-20)19-11-5-2-6-12-19/h1-14,21,23,29H,15-17H2/t21-,23+,25-/m0/s1