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

Systemtic Name: prop-2-ynyl (2R,6S)-1-cyano-4-(1-cyano-2-oxidanylidene-2-prop-2-ynoxy-ethyl)-2,6-diphenyl-cyclohexane-1-carboxylate Openeye Name: prop-2-ynyl (2R,6S)-1-cyano-4-(1-cyano-2-oxo-2-prop-2-ynoxy-ethyl)-2,6-diphenyl-cyclohexanecarboxylate CAS Name: (2R,6S)-1-cyano-4-(1-cyano-2-oxo-2-prop-2-ynoxyethyl)-2,6-diphenyl-1-cyclohexanecarboxylic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl (2R,6S)-1-cyano-4-(1-cyano-2-oxo-2-prop-2-ynoxyethyl)-2,6-diphenylcyclohexane-1-carboxylate Traditional Name: (2R,6S)-1-cyano-4-(1-cyano-2-keto-2-propargyloxy-ethyl)-2,6-diphenyl-cyclohexanecarboxylic acid propargyl ester Formula: C29H24N2O4 MolecularWeight: 464.51186

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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/C29H24N2O4/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/h1-2,5-14,23-26H,15-18H2/t23?,24?,25-,26+,29?