methyl 7-(2-cyano-4-methoxy-phenyl)-5-cyclopentyl-5-oxidanyl-3-oxidanylidene-heptanoate

Systemtic Name: methyl 7-(2-cyano-4-methoxy-phenyl)-5-cyclopentyl-5-oxidanyl-3-oxidanylidene-heptanoate Openeye Name: methyl 7-(2-cyano-4-methoxy-phenyl)-5-cyclopentyl-5-hydroxy-3-oxo-heptanoate CAS Name: 7-(2-cyano-4-methoxyphenyl)-5-cyclopentyl-5-hydroxy-3-oxoheptanoic acid methyl ester IUPAC Name: methyl 7-(2-cyano-4-methoxyphenyl)-5-cyclopentyl-5-hydroxy-3-oxoheptanoate Traditional Name: 7-(2-cyano-4-methoxy-phenyl)-5-cyclopentyl-5-hydroxy-3-keto-enanthic acid methyl ester Formula: C21H27NO5 MolecularWeight: 373.44278

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CCC(CC(=O)CC(=O)OC)(C2CCCC2)O)C#N

Isomeric SMILES

COC1=CC(=C(C=C1)CCC(CC(=O)CC(=O)OC)(C2CCCC2)O)C#N

InChI

InChI=1S/C21H27NO5/c1-26-19-8-7-15(16(11-19)14-22)9-10-21(25,17-5-3-4-6-17)13-18(23)12-20(24)27-2/h7-8,11,17,25H,3-6,9-10,12-13H2,1-2H3