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

Systemtic Name: 2-[(4-tert-butylphenyl)carbonylamino]-8-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)oxy-octanoic acid Openeye Name: 2-[(4-tert-butylbenzoyl)amino]-8-(2-hydroxy-1,1-dimethyl-2-oxo-ethoxy)octanoic acid CAS Name: 2-[[(4-tert-butylphenyl)-oxomethyl]amino]-8-(1-hydroxy-2-methyl-1-oxopropan-2-yl)oxyoctanoic acid IUPAC Name: 2-[(4-tert-butylbenzoyl)amino]-8-(1-hydroxy-2-methyl-1-oxopropan-2-yl)oxyoctanoic acid Traditional Name: 2-[(4-tert-butylbenzoyl)amino]-8-(2-hydroxy-2-keto-1,1-dimethyl-ethoxy)caprylic acid Formula: C23H35NO6 MolecularWeight: 421.5271

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H35NO6/c1-22(2,3)17-13-11-16(12-14-17)19(25)24-18(20(26)27)10-8-6-7-9-15-30-23(4,5)21(28)29/h11-14,18H,6-10,15H2,1-5H3,(H,24,25)(H,26,27)(H,28,29)