methyl 1-[3-(4-tert-butylphenoxy)-2-oxidanyl-propyl]-5-cyano-6-oxidanylidene-pyridine-3-carboxylate

Systemtic Name: methyl 1-[3-(4-tert-butylphenoxy)-2-oxidanyl-propyl]-5-cyano-6-oxidanylidene-pyridine-3-carboxylate Openeye Name: methyl 1-[3-(4-tert-butylphenoxy)-2-hydroxy-propyl]-5-cyano-6-oxo-pyridine-3-carboxylate CAS Name: 1-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-5-cyano-6-oxo-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-5-cyano-6-oxopyridine-3-carboxylate Traditional Name: 1-[3-(4-tert-butylphenoxy)-2-hydroxy-propyl]-5-cyano-6-keto-nicotinic acid methyl ester Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC(CN2C=C(C=C(C2=O)C#N)C(=O)OC)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC(CN2C=C(C=C(C2=O)C#N)C(=O)OC)O

InChI

InChI=1S/C21H24N2O5/c1-21(2,3)16-5-7-18(8-6-16)28-13-17(24)12-23-11-15(20(26)27-4)9-14(10-22)19(23)25/h5-9,11,17,24H,12-13H2,1-4H3