5-[5-(dioxidanylmethyl)-4-ethanoyl-2-methyl-phenyl]-4-methyl-2-(methylcarbamoyl)benzoic acid

Systemtic Name: 5-[5-(dioxidanylmethyl)-4-ethanoyl-2-methyl-phenyl]-4-methyl-2-(methylcarbamoyl)benzoic acid Openeye Name: 5-[4-acetyl-5-(hydroperoxymethyl)-2-methyl-phenyl]-4-methyl-2-(methylcarbamoyl)benzoic acid CAS Name: 5-[4-acetyl-5-(hydroperoxymethyl)-2-methylphenyl]-4-methyl-2-(methylcarbamoyl)benzoic acid IUPAC Name: 5-[4-acetyl-5-(hydroperoxymethyl)-2-methylphenyl]-4-methyl-2-(methylcarbamoyl)benzoic acid Traditional Name: 5-[4-acetyl-5-(hydroperoxymethyl)-2-methyl-phenyl]-4-methyl-2-(methylcarbamoyl)benzoic acid Formula: C20H21NO6 MolecularWeight: 371.38384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=CC(=C(C=C2C)C(=O)NC)C(=O)O)COO)C(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1C2=CC(=C(C=C2C)C(=O)NC)C(=O)O)COO)C(=O)C

InChI

InChI=1S/C20H21NO6/c1-10-5-16(12(3)22)13(9-27-26)7-14(10)15-8-18(20(24)25)17(6-11(15)2)19(23)21-4/h5-8,26H,9H2,1-4H3,(H,21,23)(H,24,25)