ethyl 2-oxidanyl-4-oxidanylidene-6-(4-phenylmethoxyphenyl)-3-propanoyl-cyclohex-2-ene-1-carboxylate

Systemtic Name: ethyl 2-oxidanyl-4-oxidanylidene-6-(4-phenylmethoxyphenyl)-3-propanoyl-cyclohex-2-ene-1-carboxylate Openeye Name: ethyl 6-(4-benzyloxyphenyl)-2-hydroxy-4-oxo-3-propanoyl-cyclohex-2-ene-1-carboxylate CAS Name: 2-hydroxy-4-oxo-3-(1-oxopropyl)-6-(4-phenylmethoxyphenyl)-1-cyclohex-2-enecarboxylic acid ethyl ester IUPAC Name: ethyl 2-hydroxy-4-oxo-6-(4-phenylmethoxyphenyl)-3-propanoylcyclohex-2-ene-1-carboxylate Traditional Name: 6-(4-benzoxyphenyl)-2-hydroxy-4-keto-3-propionyl-cyclohex-2-ene-1-carboxylic acid ethyl ester Formula: C25H26O6 MolecularWeight: 422.47034

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C(C(CC1=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)OCC)O

Isomeric SMILES

CCC(=O)C1=C(C(C(CC1=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)OCC)O

InChI

InChI=1S/C25H26O6/c1-3-20(26)23-21(27)14-19(22(24(23)28)25(29)30-4-2)17-10-12-18(13-11-17)31-15-16-8-6-5-7-9-16/h5-13,19,22,28H,3-4,14-15H2,1-2H3