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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)OCC(=O)NC2=CC=CC(=C2)C(=O)OCCC)Br

Isomeric SMILES

CCCC1=CC(=C(C=C1)OCC(=O)NC2=CC=CC(=C2)C(=O)OCCC)Br

InChI

InChI=1S/C21H24BrNO4/c1-3-6-15-9-10-19(18(22)12-15)27-14-20(24)23-17-8-5-7-16(13-17)21(25)26-11-4-2/h5,7-10,12-13H,3-4,6,11,14H2,1-2H3,(H,23,24)