propyl 4-[2-(4-bromanyl-2,6-dimethyl-phenoxy)propanoylamino]benzoate

Systemtic Name: propyl 4-[2-(4-bromanyl-2,6-dimethyl-phenoxy)propanoylamino]benzoate Openeye Name: propyl 4-[2-(4-bromo-2,6-dimethyl-phenoxy)propanoylamino]benzoate CAS Name: 4-[[2-(4-bromo-2,6-dimethylphenoxy)-1-oxopropyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]benzoate Traditional Name: 4-[2-(4-bromo-2,6-dimethyl-phenoxy)propanoylamino]benzoic acid propyl ester Formula: C21H24BrNO4 MolecularWeight: 434.32356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)OC2=C(C=C(C=C2C)Br)C

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)OC2=C(C=C(C=C2C)Br)C

InChI

InChI=1S/C21H24BrNO4/c1-5-10-26-21(25)16-6-8-18(9-7-16)23-20(24)15(4)27-19-13(2)11-17(22)12-14(19)3/h6-9,11-12,15H,5,10H2,1-4H3,(H,23,24)