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

Systemtic Name: 3-[5-tert-butyl-2-oxidanyl-3-(2-oxidanylidene-1H-pyridin-3-yl)phenyl]propanoic acid Openeye Name: 3-[5-tert-butyl-2-hydroxy-3-(2-oxo-1H-pyridin-3-yl)phenyl]propanoic acid CAS Name: 3-[5-tert-butyl-2-hydroxy-3-(2-oxo-1H-pyridin-3-yl)phenyl]propanoic acid IUPAC Name: 3-[5-tert-butyl-2-hydroxy-3-(2-oxo-1H-pyridin-3-yl)phenyl]propanoic acid Traditional Name: 3-[5-tert-butyl-2-hydroxy-3-(2-keto-1H-pyridin-3-yl)phenyl]propionic acid Formula: C18H21NO4 MolecularWeight: 315.36364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO4/c1-18(2,3)12-9-11(6-7-15(20)21)16(22)14(10-12)13-5-4-8-19-17(13)23/h4-5,8-10,22H,6-7H2,1-3H3,(H,19,23)(H,20,21)