prop-2-enyl (2S,6R)-1-cyano-4-(1-cyano-2-oxidanylidene-2-prop-2-enoxy-ethyl)-2,6-diphenyl-cyclohexane-1-carboxylate

Systemtic Name: prop-2-enyl (2S,6R)-1-cyano-4-(1-cyano-2-oxidanylidene-2-prop-2-enoxy-ethyl)-2,6-diphenyl-cyclohexane-1-carboxylate Openeye Name: allyl (2S,6R)-4-(2-allyloxy-1-cyano-2-oxo-ethyl)-1-cyano-2,6-diphenyl-cyclohexanecarboxylate CAS Name: (2S,6R)-1-cyano-4-(1-cyano-2-oxo-2-prop-2-enoxyethyl)-2,6-diphenyl-1-cyclohexanecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (2S,6R)-1-cyano-4-(1-cyano-2-oxo-2-prop-2-enoxyethyl)-2,6-diphenylcyclohexane-1-carboxylate Traditional Name: (2S,6R)-4-(2-allyloxy-1-cyano-2-keto-ethyl)-1-cyano-2,6-diphenyl-cyclohexanecarboxylic acid allyl ester Formula: C29H28N2O4 MolecularWeight: 468.54362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H28N2O4/c1-3-15-34-27(32)24(19-30)23-17-25(21-11-7-5-8-12-21)29(20-31,28(33)35-16-4-2)26(18-23)22-13-9-6-10-14-22/h3-14,23-26H,1-2,15-18H2/t23?,24?,25-,26+,29?