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

Systemtic Name: pentyl 4-[4-(2-bromanyl-4-chloranyl-3,5-dimethyl-phenoxy)butanoylamino]benzoate Openeye Name: pentyl 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 pentyl ester IUPAC Name: pentyl 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 amyl ester Formula: C24H29BrClNO4 MolecularWeight: 510.84836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29BrClNO4/c1-4-5-6-13-31-24(29)18-9-11-19(12-10-18)27-21(28)8-7-14-30-20-15-16(2)23(26)17(3)22(20)25/h9-12,15H,4-8,13-14H2,1-3H3,(H,27,28)