ethyl 3-chloranyl-4-[2-(2,3,5-trimethylphenoxy)propanoylamino]benzoate

Systemtic Name: ethyl 3-chloranyl-4-[2-(2,3,5-trimethylphenoxy)propanoylamino]benzoate Openeye Name: ethyl 3-chloro-4-[2-(2,3,5-trimethylphenoxy)propanoylamino]benzoate CAS Name: 3-chloro-4-[[1-oxo-2-(2,3,5-trimethylphenoxy)propyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-chloro-4-[2-(2,3,5-trimethylphenoxy)propanoylamino]benzoate Traditional Name: 3-chloro-4-[2-(2,3,5-trimethylphenoxy)propanoylamino]benzoic acid ethyl ester Formula: C21H24ClNO4 MolecularWeight: 389.87256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC(=O)C(C)OC2=CC(=CC(=C2C)C)C)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC(=O)C(C)OC2=CC(=CC(=C2C)C)C)Cl

InChI

InChI=1S/C21H24ClNO4/c1-6-26-21(25)16-7-8-18(17(22)11-16)23-20(24)15(5)27-19-10-12(2)9-13(3)14(19)4/h7-11,15H,6H2,1-5H3,(H,23,24)