tert-butyl 4-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-3-oxidanylidene-butanoate

Systemtic Name: tert-butyl 4-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-3-oxidanylidene-butanoate Openeye Name: tert-butyl 4-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-3-oxo-butanoate CAS Name: 4-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-3-oxobutanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-oxobutanoate Traditional Name: 4-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-3-keto-butyric acid tert-butyl ester Formula: C20H25NO5 MolecularWeight: 359.4162

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)CC(=O)CC(=O)OC(C)(C)C)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)CC(=O)CC(=O)OC(C)(C)C)O)C

InChI

InChI=1S/C20H25NO5/c1-19(2,3)26-17(23)10-13(22)9-15-14-8-12(11-21)6-7-16(14)25-20(4,5)18(15)24/h6-8,15,18,24H,9-10H2,1-5H3