[6-cyano-4-[4-(2-hydroxyethyl)-2-oxidanylidene-pyridin-1-yl]-2,2-dimethyl-3,4-dihydrochromen-3-yl] ethanoate

Systemtic Name: [6-cyano-4-[4-(2-hydroxyethyl)-2-oxidanylidene-pyridin-1-yl]-2,2-dimethyl-3,4-dihydrochromen-3-yl] ethanoate Openeye Name: [6-cyano-4-[4-(2-hydroxyethyl)-2-oxo-1-pyridyl]-2,2-dimethyl-chroman-3-yl] acetate CAS Name: acetic acid [6-cyano-4-[4-(2-hydroxyethyl)-2-oxo-1-pyridinyl]-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: [6-cyano-4-[4-(2-hydroxyethyl)-2-oxopyridin-1-yl]-2,2-dimethyl-3,4-dihydrochromen-3-yl] acetate Traditional Name: acetic acid [6-cyano-4-[4-(2-hydroxyethyl)-2-keto-1-pyridyl]-2,2-dimethyl-chroman-3-yl] ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C2=C(C=CC(=C2)C#N)OC1(C)C)N3C=CC(=CC3=O)CCO

Isomeric SMILES

CC(=O)OC1C(C2=C(C=CC(=C2)C#N)OC1(C)C)N3C=CC(=CC3=O)CCO

InChI

InChI=1S/C21H22N2O5/c1-13(25)27-20-19(23-8-6-14(7-9-24)11-18(23)26)16-10-15(12-22)4-5-17(16)28-21(20,2)3/h4-6,8,10-11,19-20,24H,7,9H2,1-3H3