8-[(4-chlorophenyl)carbonyl-(2,6-dimethylphenyl)amino]octanoic acid

Systemtic Name: 8-[(4-chlorophenyl)carbonyl-(2,6-dimethylphenyl)amino]octanoic acid Openeye Name: 8-(N-(4-chlorobenzoyl)-2,6-dimethyl-anilino)octanoic acid CAS Name: 8-(N-[(4-chlorophenyl)-oxomethyl]-2,6-dimethylanilino)octanoic acid IUPAC Name: 8-(N-(4-chlorobenzoyl)-2,6-dimethylanilino)octanoic acid Traditional Name: 8-(N-(4-chlorobenzoyl)-2,6-dimethyl-anilino)caprylic acid Formula: C23H28ClNO3 MolecularWeight: 401.92632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N(CCCCCCCC(=O)O)C(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=C(C(=CC=C1)C)N(CCCCCCCC(=O)O)C(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C23H28ClNO3/c1-17-9-8-10-18(2)22(17)25(16-7-5-3-4-6-11-21(26)27)23(28)19-12-14-20(24)15-13-19/h8-10,12-15H,3-7,11,16H2,1-2H3,(H,26,27)