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

Systemtic Name: 2-[(4-chlorophenyl)carbonylamino]-8-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)oxy-octanoic acid Openeye Name: 2-[(4-chlorobenzoyl)amino]-8-(2-hydroxy-1,1-dimethyl-2-oxo-ethoxy)octanoic acid CAS Name: 2-[[(4-chlorophenyl)-oxomethyl]amino]-8-(1-hydroxy-2-methyl-1-oxopropan-2-yl)oxyoctanoic acid IUPAC Name: 2-[(4-chlorobenzoyl)amino]-8-(1-hydroxy-2-methyl-1-oxopropan-2-yl)oxyoctanoic acid Traditional Name: 2-[(4-chlorobenzoyl)amino]-8-(2-hydroxy-2-keto-1,1-dimethyl-ethoxy)caprylic acid Formula: C19H26ClNO6 MolecularWeight: 399.86584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)OCCCCCCC(C(=O)O)NC(=O)C1=CC=C(C=C1)Cl

Isomeric SMILES

CC(C)(C(=O)O)OCCCCCCC(C(=O)O)NC(=O)C1=CC=C(C=C1)Cl

InChI

InChI=1S/C19H26ClNO6/c1-19(2,18(25)26)27-12-6-4-3-5-7-15(17(23)24)21-16(22)13-8-10-14(20)11-9-13/h8-11,15H,3-7,12H2,1-2H3,(H,21,22)(H,23,24)(H,25,26)