3-methylbutyl 4-[2-(4-bromanyl-3-methyl-phenoxy)ethanoylamino]benzoate

Systemtic Name: 3-methylbutyl 4-[2-(4-bromanyl-3-methyl-phenoxy)ethanoylamino]benzoate Openeye Name: isopentyl 4-[[2-(4-bromo-3-methyl-phenoxy)acetyl]amino]benzoate CAS Name: 4-[[2-(4-bromo-3-methylphenoxy)-1-oxoethyl]amino]benzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 4-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]benzoate Traditional Name: 4-[[2-(4-bromo-3-methyl-phenoxy)acetyl]amino]benzoic acid isoamyl ester Formula: C21H24BrNO4 MolecularWeight: 434.32356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)NC2=CC=C(C=C2)C(=O)OCCC(C)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)NC2=CC=C(C=C2)C(=O)OCCC(C)C)Br

InChI

InChI=1S/C21H24BrNO4/c1-14(2)10-11-26-21(25)16-4-6-17(7-5-16)23-20(24)13-27-18-8-9-19(22)15(3)12-18/h4-9,12,14H,10-11,13H2,1-3H3,(H,23,24)