2-[[3-methyl-5-[(1-oxidanyl-1-oxidanylidene-octan-2-yl)carbamoyl]phenyl]carbonylamino]octanoic acid

Systemtic Name: 2-[[3-methyl-5-[(1-oxidanyl-1-oxidanylidene-octan-2-yl)carbamoyl]phenyl]carbonylamino]octanoic acid Openeye Name: 2-[[3-(1-carboxyheptylcarbamoyl)-5-methyl-benzoyl]amino]octanoic acid CAS Name: 2-[[[3-[[(1-hydroxy-1-oxooctan-2-yl)amino]-oxomethyl]-5-methylphenyl]-oxomethyl]amino]octanoic acid IUPAC Name: 2-[[3-[(1-hydroxy-1-oxooctan-2-yl)carbamoyl]-5-methylbenzoyl]amino]octanoic acid Traditional Name: 2-[[3-(1-carboxyheptylcarbamoyl)-5-methyl-benzoyl]amino]caprylic acid Formula: C25H38N2O6 MolecularWeight: 462.57902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)NC(=O)C1=CC(=CC(=C1)C)C(=O)NC(CCCCCC)C(=O)O

Isomeric SMILES

CCCCCCC(C(=O)O)NC(=O)C1=CC(=CC(=C1)C)C(=O)NC(CCCCCC)C(=O)O

InChI

InChI=1S/C25H38N2O6/c1-4-6-8-10-12-20(24(30)31)26-22(28)18-14-17(3)15-19(16-18)23(29)27-21(25(32)33)13-11-9-7-5-2/h14-16,20-21H,4-13H2,1-3H3,(H,26,28)(H,27,29)(H,30,31)(H,32,33)