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

Systemtic Name: methyl (2R,6S)-1-cyano-4-(1-cyano-2-oxidanylidene-2-phenylmethoxy-ethyl)-2,6-diphenyl-cyclohexane-1-carboxylate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C31H28N2O4 MolecularWeight: 492.56502

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C(CC(CC1C2=CC=CC=C2)C(C#N)C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

COC(=O)C1([C@H](CC(C[C@H]1C2=CC=CC=C2)C(C#N)C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C31H28N2O4/c1-36-30(35)31(21-33)27(23-13-7-3-8-14-23)17-25(18-28(31)24-15-9-4-10-16-24)26(19-32)29(34)37-20-22-11-5-2-6-12-22/h2-16,25-28H,17-18,20H2,1H3/t25?,26?,27-,28+,31?