propan-2-yl 5-cyano-5-(3,5-diethoxyphenyl)-2-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: propan-2-yl 5-cyano-5-(3,5-diethoxyphenyl)-2-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: isopropyl 5-cyano-5-(3,5-diethoxyphenyl)-2-oxo-cyclohexanecarboxylate CAS Name: 5-cyano-5-(3,5-diethoxyphenyl)-2-oxo-1-cyclohexanecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-cyano-5-(3,5-diethoxyphenyl)-2-oxocyclohexane-1-carboxylate Traditional Name: 5-cyano-5-(3,5-diethoxyphenyl)-2-keto-cyclohexanecarboxylic acid isopropyl ester Formula: C21H27NO5 MolecularWeight: 373.44278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)C2(CCC(=O)C(C2)C(=O)OC(C)C)C#N)OCC

Isomeric SMILES

CCOC1=CC(=CC(=C1)C2(CCC(=O)C(C2)C(=O)OC(C)C)C#N)OCC

InChI

InChI=1S/C21H27NO5/c1-5-25-16-9-15(10-17(11-16)26-6-2)21(13-22)8-7-19(23)18(12-21)20(24)27-14(3)4/h9-11,14,18H,5-8,12H2,1-4H3