[1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-bromanyl-2-chloranyl-phenoxy)butanoate

Systemtic Name: [1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-bromanyl-2-chloranyl-phenoxy)butanoate Openeye Name: [1-methyl-2-(4-methylanilino)-2-oxo-ethyl] 4-(4-bromo-2-chloro-phenoxy)butanoate CAS Name: 4-(4-bromo-2-chlorophenoxy)butanoic acid [1-(4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methylanilino)-1-oxopropan-2-yl] 4-(4-bromo-2-chlorophenoxy)butanoate Traditional Name: 4-(4-bromo-2-chloro-phenoxy)butyric acid [2-keto-1-methyl-2-(p-toluidino)ethyl] ester Formula: C20H21BrClNO4 MolecularWeight: 454.74204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrClNO4/c1-13-5-8-16(9-6-13)23-20(25)14(2)27-19(24)4-3-11-26-18-10-7-15(21)12-17(18)22/h5-10,12,14H,3-4,11H2,1-2H3,(H,23,25)