[1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-chloranyl-2-methyl-phenoxy)butanoate

Systemtic Name: [1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-chloranyl-2-methyl-phenoxy)butanoate Openeye Name: [2-(2,6-dimethylanilino)-1-methyl-2-oxo-ethyl] 4-(4-chloro-2-methyl-phenoxy)butanoate CAS Name: 4-(4-chloro-2-methylphenoxy)butanoic acid [1-(2,6-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 4-(4-chloro-2-methylphenoxy)butanoate Traditional Name: 4-(4-chloro-2-methyl-phenoxy)butyric acid [2-(2,6-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H26ClNO4 MolecularWeight: 403.89914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClNO4/c1-14-7-5-8-15(2)21(14)24-22(26)17(4)28-20(25)9-6-12-27-19-11-10-18(23)13-16(19)3/h5,7-8,10-11,13,17H,6,9,12H2,1-4H3,(H,24,26)