[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-(4-chloranyl-2-methyl-phenoxy)butanoate

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-(4-chloranyl-2-methyl-phenoxy)butanoate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-ethyl] 4-(4-chloro-2-methyl-phenoxy)butanoate CAS Name: 4-(4-chloro-2-methylphenoxy)butanoic acid [2-(3,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxoethyl] 4-(4-chloro-2-methylphenoxy)butanoate Traditional Name: 4-(4-chloro-2-methyl-phenoxy)butyric acid [2-(3,5-dimethylanilino)-2-keto-ethyl] ester Formula: C21H24ClNO4 MolecularWeight: 389.87256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)COC(=O)CCCOC2=C(C=C(C=C2)Cl)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)COC(=O)CCCOC2=C(C=C(C=C2)Cl)C)C

InChI

InChI=1S/C21H24ClNO4/c1-14-9-15(2)11-18(10-14)23-20(24)13-27-21(25)5-4-8-26-19-7-6-17(22)12-16(19)3/h6-7,9-12H,4-5,8,13H2,1-3H3,(H,23,24)