ethyl 2-[(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)oxy]pyridine-4-carboxylate

Systemtic Name: ethyl 2-[(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)oxy]pyridine-4-carboxylate Openeye Name: ethyl 2-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)oxypyridine-4-carboxylate CAS Name: 2-[(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)oxy]-4-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)oxy]pyridine-4-carboxylate Traditional Name: 2-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)oxyisonicotinic acid ethyl ester Formula: C20H20N2O5 MolecularWeight: 368.3832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NC=C1)OC2C(C(OC3=C2C=C(C=C3)C#N)(C)C)O

Isomeric SMILES

CCOC(=O)C1=CC(=NC=C1)OC2C(C(OC3=C2C=C(C=C3)C#N)(C)C)O

InChI

InChI=1S/C20H20N2O5/c1-4-25-19(24)13-7-8-22-16(10-13)26-17-14-9-12(11-21)5-6-15(14)27-20(2,3)18(17)23/h5-10,17-18,23H,4H2,1-3H3