methyl (2R,6S)-1-cyano-2,6-bis(4-hydroxyphenyl)-4-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: methyl (2R,6S)-1-cyano-2,6-bis(4-hydroxyphenyl)-4-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: methyl (2R,6S)-1-cyano-2,6-bis(4-hydroxyphenyl)-4-oxo-cyclohexanecarboxylate CAS Name: (2R,6S)-1-cyano-2,6-bis(4-hydroxyphenyl)-4-oxo-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (2R,6S)-1-cyano-2,6-bis(4-hydroxyphenyl)-4-oxocyclohexane-1-carboxylate Traditional Name: (2R,6S)-1-cyano-2,6-bis(4-hydroxyphenyl)-4-keto-cyclohexanecarboxylic acid methyl ester Formula: C21H19NO5 MolecularWeight: 365.37926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19NO5/c1-27-20(26)21(12-22)18(13-2-6-15(23)7-3-13)10-17(25)11-19(21)14-4-8-16(24)9-5-14/h2-9,18-19,23-24H,10-11H2,1H3/t18-,19+,21?