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

Systemtic Name: [6-cyano-4-[4-(1-hydroxyethyl)-2-oxidanylidene-pyridin-1-yl]-2,2-dimethyl-3,4-dihydrochromen-3-yl] ethanoate Openeye Name: [6-cyano-4-[4-(1-hydroxyethyl)-2-oxo-1-pyridyl]-2,2-dimethyl-chroman-3-yl] acetate CAS Name: acetic acid [6-cyano-4-[4-(1-hydroxyethyl)-2-oxo-1-pyridinyl]-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: [6-cyano-4-[4-(1-hydroxyethyl)-2-oxopyridin-1-yl]-2,2-dimethyl-3,4-dihydrochromen-3-yl] acetate Traditional Name: acetic acid [6-cyano-4-[4-(1-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(C1=CC(=O)N(C=C1)C2C(C(OC3=C2C=C(C=C3)C#N)(C)C)OC(=O)C)O

Isomeric SMILES

CC(C1=CC(=O)N(C=C1)C2C(C(OC3=C2C=C(C=C3)C#N)(C)C)OC(=O)C)O

InChI

InChI=1S/C21H22N2O5/c1-12(24)15-7-8-23(18(26)10-15)19-16-9-14(11-22)5-6-17(16)28-21(3,4)20(19)27-13(2)25/h5-10,12,19-20,24H,1-4H3