8-[(2,5-dimethylphenyl)carbonylamino]octanoic acid

Systemtic Name: 8-[(2,5-dimethylphenyl)carbonylamino]octanoic acid Openeye Name: 8-[(2,5-dimethylbenzoyl)amino]octanoic acid CAS Name: 8-[[(2,5-dimethylphenyl)-oxomethyl]amino]octanoic acid IUPAC Name: 8-[(2,5-dimethylbenzoyl)amino]octanoic acid Traditional Name: 8-[(2,5-dimethylbenzoyl)amino]caprylic acid Formula: C17H25NO3 MolecularWeight: 291.3853

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)NCCCCCCCC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)NCCCCCCCC(=O)O

InChI

InChI=1S/C17H25NO3/c1-13-9-10-14(2)15(12-13)17(21)18-11-7-5-3-4-6-8-16(19)20/h9-10,12H,3-8,11H2,1-2H3,(H,18,21)(H,19,20)