8-[(4-chloranyl-3-methyl-phenyl)carbonylamino]octanoic acid

Systemtic Name: 8-[(4-chloranyl-3-methyl-phenyl)carbonylamino]octanoic acid Openeye Name: 8-[(4-chloro-3-methyl-benzoyl)amino]octanoic acid CAS Name: 8-[[(4-chloro-3-methylphenyl)-oxomethyl]amino]octanoic acid IUPAC Name: 8-[(4-chloro-3-methylbenzoyl)amino]octanoic acid Traditional Name: 8-[(4-chloro-3-methyl-benzoyl)amino]caprylic acid Formula: C16H22ClNO3 MolecularWeight: 311.80378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22ClNO3/c1-12-11-13(8-9-14(12)17)16(21)18-10-6-4-2-3-5-7-15(19)20/h8-9,11H,2-7,10H2,1H3,(H,18,21)(H,19,20)