pentyl 4-[2-(4-bromanyl-2,6-dimethyl-phenoxy)ethanoylamino]benzoate

Systemtic Name: pentyl 4-[2-(4-bromanyl-2,6-dimethyl-phenoxy)ethanoylamino]benzoate Openeye Name: pentyl 4-[[2-(4-bromo-2,6-dimethyl-phenoxy)acetyl]amino]benzoate CAS Name: 4-[[2-(4-bromo-2,6-dimethylphenoxy)-1-oxoethyl]amino]benzoic acid pentyl ester IUPAC Name: pentyl 4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]benzoate Traditional Name: 4-[[2-(4-bromo-2,6-dimethyl-phenoxy)acetyl]amino]benzoic acid amyl ester Formula: C22H26BrNO4 MolecularWeight: 448.35014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2C)Br)C

Isomeric SMILES

CCCCCOC(=O)C1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2C)Br)C

InChI

InChI=1S/C22H26BrNO4/c1-4-5-6-11-27-22(26)17-7-9-19(10-8-17)24-20(25)14-28-21-15(2)12-18(23)13-16(21)3/h7-10,12-13H,4-6,11,14H2,1-3H3,(H,24,25)