2-[[2-methyl-3-[4-(5-oxidanylpyridin-2-yl)phenyl]propanoyl]amino]benzoic acid

Systemtic Name: 2-[[2-methyl-3-[4-(5-oxidanylpyridin-2-yl)phenyl]propanoyl]amino]benzoic acid Openeye Name: 2-[[3-[4-(5-hydroxy-2-pyridyl)phenyl]-2-methyl-propanoyl]amino]benzoic acid CAS Name: 2-[[3-[4-(5-hydroxy-2-pyridinyl)phenyl]-2-methyl-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-[[3-[4-(5-hydroxypyridin-2-yl)phenyl]-2-methylpropanoyl]amino]benzoic acid Traditional Name: 2-[[3-[4-(5-hydroxy-2-pyridyl)phenyl]-2-methyl-propanoyl]amino]benzoic acid Formula: C22H20N2O4 MolecularWeight: 376.4052

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)C2=NC=C(C=C2)O)C(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

CC(CC1=CC=C(C=C1)C2=NC=C(C=C2)O)C(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C22H20N2O4/c1-14(21(26)24-20-5-3-2-4-18(20)22(27)28)12-15-6-8-16(9-7-15)19-11-10-17(25)13-23-19/h2-11,13-14,25H,12H2,1H3,(H,24,26)(H,27,28)