hexyl 4-[2-(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)ethanoylamino]benzoate

Systemtic Name: hexyl 4-[2-(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)ethanoylamino]benzoate Openeye Name: hexyl 4-[[2-(4-bromo-2-isopropyl-5-methyl-phenoxy)acetyl]amino]benzoate CAS Name: 4-[[2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-1-oxoethyl]amino]benzoic acid hexyl ester IUPAC Name: hexyl 4-[[2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate Traditional Name: 4-[[2-(4-bromo-2-isopropyl-5-methyl-phenoxy)acetyl]amino]benzoic acid hexyl ester Formula: C25H32BrNO4 MolecularWeight: 490.42988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC=C(C=C1)NC(=O)COC2=C(C=C(C(=C2)C)Br)C(C)C

Isomeric SMILES

CCCCCCOC(=O)C1=CC=C(C=C1)NC(=O)COC2=C(C=C(C(=C2)C)Br)C(C)C

InChI

InChI=1S/C25H32BrNO4/c1-5-6-7-8-13-30-25(29)19-9-11-20(12-10-19)27-24(28)16-31-23-14-18(4)22(26)15-21(23)17(2)3/h9-12,14-15,17H,5-8,13,16H2,1-4H3,(H,27,28)