(phenylmethyl) (2R,6S)-1-cyano-4-(1-cyano-2-oxidanylidene-2-phenylmethoxy-ethyl)-2,6-diphenyl-cyclohexane-1-carboxylate

Systemtic Name: (phenylmethyl) (2R,6S)-1-cyano-4-(1-cyano-2-oxidanylidene-2-phenylmethoxy-ethyl)-2,6-diphenyl-cyclohexane-1-carboxylate Openeye Name: benzyl (2R,6S)-4-(2-benzyloxy-1-cyano-2-oxo-ethyl)-1-cyano-2,6-diphenyl-cyclohexanecarboxylate CAS Name: (2R,6S)-1-cyano-4-(1-cyano-2-oxo-2-phenylmethoxyethyl)-2,6-diphenyl-1-cyclohexanecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2R,6S)-1-cyano-4-(1-cyano-2-oxo-2-phenylmethoxyethyl)-2,6-diphenylcyclohexane-1-carboxylate Traditional Name: (2R,6S)-4-(2-benzoxy-1-cyano-2-keto-ethyl)-1-cyano-2,6-diphenyl-cyclohexanecarboxylic acid benzyl ester Formula: C37H32N2O4 MolecularWeight: 568.66098

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(C(C1C2=CC=CC=C2)(C#N)C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4)C(C#N)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1[C@@H](C([C@@H](CC1C(C#N)C(=O)OCC2=CC=CC=C2)C3=CC=CC=C3)(C#N)C(=O)OCC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C37H32N2O4/c38-23-32(35(40)42-24-27-13-5-1-6-14-27)31-21-33(29-17-9-3-10-18-29)37(26-39,34(22-31)30-19-11-4-12-20-30)36(41)43-25-28-15-7-2-8-16-28/h1-20,31-34H,21-22,24-25H2/t31?,32?,33-,34+,37?