ethyl 4-[[2,6-bis(chloranyl)phenyl]methyl-pentanoyl-amino]benzoate

Systemtic Name: ethyl 4-[[2,6-bis(chloranyl)phenyl]methyl-pentanoyl-amino]benzoate Openeye Name: ethyl 4-[(2,6-dichlorophenyl)methyl-pentanoyl-amino]benzoate CAS Name: 4-[(2,6-dichlorophenyl)methyl-(1-oxopentyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2,6-dichlorophenyl)methyl-pentanoylamino]benzoate Traditional Name: 4-[(2,6-dichlorobenzyl)-valeryl-amino]benzoic acid ethyl ester Formula: C21H23Cl2NO3 MolecularWeight: 408.31822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CC1=C(C=CC=C1Cl)Cl)C2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCCCC(=O)N(CC1=C(C=CC=C1Cl)Cl)C2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C21H23Cl2NO3/c1-3-5-9-20(25)24(14-17-18(22)7-6-8-19(17)23)16-12-10-15(11-13-16)21(26)27-4-2/h6-8,10-13H,3-5,9,14H2,1-2H3