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

Systemtic Name: 3-[4-tert-butyl-5-methoxy-2-(2-oxidanylidene-1H-pyridin-3-yl)phenyl]propanoic acid Openeye Name: 3-[4-tert-butyl-5-methoxy-2-(2-oxo-1H-pyridin-3-yl)phenyl]propanoic acid CAS Name: 3-[4-tert-butyl-5-methoxy-2-(2-oxo-1H-pyridin-3-yl)phenyl]propanoic acid IUPAC Name: 3-[4-tert-butyl-5-methoxy-2-(2-oxo-1H-pyridin-3-yl)phenyl]propanoic acid Traditional Name: 3-[4-tert-butyl-2-(2-keto-1H-pyridin-3-yl)-5-methoxy-phenyl]propionic acid Formula: C19H23NO4 MolecularWeight: 329.39022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23NO4/c1-19(2,3)15-11-14(13-6-5-9-20-18(13)23)12(7-8-17(21)22)10-16(15)24-4/h5-6,9-11H,7-8H2,1-4H3,(H,20,23)(H,21,22)