8-[(3-acetyloxy-5-methanoyl-phenyl)carbonylamino]octanoic acid

Systemtic Name: 8-[(3-acetyloxy-5-methanoyl-phenyl)carbonylamino]octanoic acid Openeye Name: 8-[(3-acetoxy-5-formyl-benzoyl)amino]octanoic acid CAS Name: 8-[[(3-acetyloxy-5-formylphenyl)-oxomethyl]amino]octanoic acid IUPAC Name: 8-[(3-acetyloxy-5-formylbenzoyl)amino]octanoic acid Traditional Name: 8-[(3-acetoxy-5-formyl-benzoyl)amino]caprylic acid Formula: C18H23NO6 MolecularWeight: 349.37832

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC(=CC(=C1)C(=O)NCCCCCCCC(=O)O)C=O

Isomeric SMILES

CC(=O)OC1=CC(=CC(=C1)C(=O)NCCCCCCCC(=O)O)C=O

InChI

InChI=1S/C18H23NO6/c1-13(21)25-16-10-14(12-20)9-15(11-16)18(24)19-8-6-4-2-3-5-7-17(22)23/h9-12H,2-8H2,1H3,(H,19,24)(H,22,23)