methyl 3-[4-tert-butyl-5-methoxy-2-(2-oxidanylidene-1H-pyridin-3-yl)phenyl]propanoate

Systemtic Name: methyl 3-[4-tert-butyl-5-methoxy-2-(2-oxidanylidene-1H-pyridin-3-yl)phenyl]propanoate Openeye Name: methyl 3-[4-tert-butyl-5-methoxy-2-(2-oxo-1H-pyridin-3-yl)phenyl]propanoate CAS Name: 3-[4-tert-butyl-5-methoxy-2-(2-oxo-1H-pyridin-3-yl)phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-tert-butyl-5-methoxy-2-(2-oxo-1H-pyridin-3-yl)phenyl]propanoate Traditional Name: 3-[4-tert-butyl-2-(2-keto-1H-pyridin-3-yl)-5-methoxy-phenyl]propionic acid methyl ester Formula: C20H25NO4 MolecularWeight: 343.4168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C(=C1)C2=CC=CNC2=O)CCC(=O)OC)OC

Isomeric SMILES

CC(C)(C)C1=C(C=C(C(=C1)C2=CC=CNC2=O)CCC(=O)OC)OC

InChI

InChI=1S/C20H25NO4/c1-20(2,3)16-12-15(14-7-6-10-21-19(14)23)13(11-17(16)24-4)8-9-18(22)25-5/h6-7,10-12H,8-9H2,1-5H3,(H,21,23)