8-[(3,4-dimethylphenyl)amino]-8-oxidanylidene-octanoic acid

Systemtic Name: 8-[(3,4-dimethylphenyl)amino]-8-oxidanylidene-octanoic acid Openeye Name: 8-(3,4-dimethylanilino)-8-oxo-octanoic acid CAS Name: 8-(3,4-dimethylanilino)-8-oxooctanoic acid IUPAC Name: 8-(3,4-dimethylanilino)-8-oxooctanoic acid Traditional Name: 8-(3,4-dimethylanilino)-8-keto-caprylic acid Formula: C16H23NO3 MolecularWeight: 277.35872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCCCCCC(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCCCCCC(=O)O)C

InChI

InChI=1S/C16H23NO3/c1-12-9-10-14(11-13(12)2)17-15(18)7-5-3-4-6-8-16(19)20/h9-11H,3-8H2,1-2H3,(H,17,18)(H,19,20)