propyl 4-[3-(2-bromanyl-4,5-dimethoxy-phenyl)propanoylamino]benzoate

Systemtic Name: propyl 4-[3-(2-bromanyl-4,5-dimethoxy-phenyl)propanoylamino]benzoate Openeye Name: propyl 4-[3-(2-bromo-4,5-dimethoxy-phenyl)propanoylamino]benzoate CAS Name: 4-[[3-(2-bromo-4,5-dimethoxyphenyl)-1-oxopropyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[3-(2-bromo-4,5-dimethoxyphenyl)propanoylamino]benzoate Traditional Name: 4-[3-(2-bromo-4,5-dimethoxy-phenyl)propanoylamino]benzoic acid propyl ester Formula: C21H24BrNO5 MolecularWeight: 450.32296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)CCC2=CC(=C(C=C2Br)OC)OC

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)CCC2=CC(=C(C=C2Br)OC)OC

InChI

InChI=1S/C21H24BrNO5/c1-4-11-28-21(25)14-5-8-16(9-6-14)23-20(24)10-7-15-12-18(26-2)19(27-3)13-17(15)22/h5-6,8-9,12-13H,4,7,10-11H2,1-3H3,(H,23,24)