cyclohexyl 4-[4-(2-bromanyl-4-chloranyl-3,5-dimethyl-phenoxy)butanoylamino]benzoate

Systemtic Name: cyclohexyl 4-[4-(2-bromanyl-4-chloranyl-3,5-dimethyl-phenoxy)butanoylamino]benzoate Openeye Name: cyclohexyl 4-[4-(2-bromo-4-chloro-3,5-dimethyl-phenoxy)butanoylamino]benzoate CAS Name: 4-[[4-(2-bromo-4-chloro-3,5-dimethylphenoxy)-1-oxobutyl]amino]benzoic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-[4-(2-bromo-4-chloro-3,5-dimethylphenoxy)butanoylamino]benzoate Traditional Name: 4-[4-(2-bromo-4-chloro-3,5-dimethyl-phenoxy)butanoylamino]benzoic acid cyclohexyl ester Formula: C25H29BrClNO4 MolecularWeight: 522.85906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1Cl)C)Br)OCCCC(=O)NC2=CC=C(C=C2)C(=O)OC3CCCCC3

Isomeric SMILES

CC1=CC(=C(C(=C1Cl)C)Br)OCCCC(=O)NC2=CC=C(C=C2)C(=O)OC3CCCCC3

InChI

InChI=1S/C25H29BrClNO4/c1-16-15-21(23(26)17(2)24(16)27)31-14-6-9-22(29)28-19-12-10-18(11-13-19)25(30)32-20-7-4-3-5-8-20/h10-13,15,20H,3-9,14H2,1-2H3,(H,28,29)