8-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)oxy-2-[(4-methylphenyl)carbonylamino]octanoic acid

Systemtic Name: 8-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)oxy-2-[(4-methylphenyl)carbonylamino]octanoic acid Openeye Name: 8-(2-hydroxy-1,1-dimethyl-2-oxo-ethoxy)-2-[(4-methylbenzoyl)amino]octanoic acid CAS Name: 8-(1-hydroxy-2-methyl-1-oxopropan-2-yl)oxy-2-[[(4-methylphenyl)-oxomethyl]amino]octanoic acid IUPAC Name: 8-(1-hydroxy-2-methyl-1-oxopropan-2-yl)oxy-2-[(4-methylbenzoyl)amino]octanoic acid Traditional Name: 8-(2-hydroxy-2-keto-1,1-dimethyl-ethoxy)-2-(p-toluoylamino)caprylic acid Formula: C20H29NO6 MolecularWeight: 379.44736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(CCCCCCOC(C)(C)C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(CCCCCCOC(C)(C)C(=O)O)C(=O)O

InChI

InChI=1S/C20H29NO6/c1-14-9-11-15(12-10-14)17(22)21-16(18(23)24)8-6-4-5-7-13-27-20(2,3)19(25)26/h9-12,16H,4-8,13H2,1-3H3,(H,21,22)(H,23,24)(H,25,26)