8-[methyl-(2-methylphenyl)amino]-8-oxidanylidene-octanoic acid

Systemtic Name: 8-[methyl-(2-methylphenyl)amino]-8-oxidanylidene-octanoic acid Openeye Name: 8-(N,2-dimethylanilino)-8-oxo-octanoic acid CAS Name: 8-(N,2-dimethylanilino)-8-oxooctanoic acid IUPAC Name: 8-(N,2-dimethylanilino)-8-oxooctanoic acid Traditional Name: 8-(N,2-dimethylanilino)-8-keto-caprylic acid Formula: C16H23NO3 MolecularWeight: 277.35872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(C)C(=O)CCCCCCC(=O)O

Isomeric SMILES

CC1=CC=CC=C1N(C)C(=O)CCCCCCC(=O)O

InChI

InChI=1S/C16H23NO3/c1-13-9-7-8-10-14(13)17(2)15(18)11-5-3-4-6-12-16(19)20/h7-10H,3-6,11-12H2,1-2H3,(H,19,20)