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

Systemtic Name: methyl (2R,6S)-1-cyano-4-(1-cyano-2-ethoxy-2-oxidanylidene-ethyl)-2,6-diphenyl-cyclohexane-1-carboxylate Openeye Name: methyl (2R,6S)-1-cyano-4-(1-cyano-2-ethoxy-2-oxo-ethyl)-2,6-diphenyl-cyclohexanecarboxylate CAS Name: (2R,6S)-1-cyano-4-(1-cyano-2-ethoxy-2-oxoethyl)-2,6-diphenyl-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (2R,6S)-1-cyano-4-(1-cyano-2-ethoxy-2-oxoethyl)-2,6-diphenylcyclohexane-1-carboxylate Traditional Name: (2R,6S)-1-cyano-4-(1-cyano-2-ethoxy-2-keto-ethyl)-2,6-diphenyl-cyclohexanecarboxylic acid methyl ester Formula: C26H26N2O4 MolecularWeight: 430.49564

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C1CC(C(C(C1)C2=CC=CC=C2)(C#N)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(C#N)C1C[C@@H](C([C@@H](C1)C2=CC=CC=C2)(C#N)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C26H26N2O4/c1-3-32-24(29)21(16-27)20-14-22(18-10-6-4-7-11-18)26(17-28,25(30)31-2)23(15-20)19-12-8-5-9-13-19/h4-13,20-23H,3,14-15H2,1-2H3/t20?,21?,22-,23+,26?