[2-[(5-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(4-ethanoylphenoxy)butanoate

Systemtic Name: [2-[(5-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(4-ethanoylphenoxy)butanoate Openeye Name: [2-(5-chloro-2-methyl-anilino)-2-oxo-ethyl] 4-(4-acetylphenoxy)butanoate CAS Name: 4-(4-acetylphenoxy)butanoic acid [2-(5-chloro-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-methylanilino)-2-oxoethyl] 4-(4-acetylphenoxy)butanoate Traditional Name: 4-(4-acetylphenoxy)butyric acid [2-(5-chloro-2-methyl-anilino)-2-keto-ethyl] ester Formula: C21H22ClNO5 MolecularWeight: 403.85608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClNO5/c1-14-5-8-17(22)12-19(14)23-20(25)13-28-21(26)4-3-11-27-18-9-6-16(7-10-18)15(2)24/h5-10,12H,3-4,11,13H2,1-2H3,(H,23,25)