methyl 6-[3-(2-chloroethylcarbamoylamino)phenyl]hexanoate

Systemtic Name: methyl 6-[3-(2-chloroethylcarbamoylamino)phenyl]hexanoate Openeye Name: methyl 6-[3-(2-chloroethylcarbamoylamino)phenyl]hexanoate CAS Name: 6-[3-[[(2-chloroethylamino)-oxomethyl]amino]phenyl]hexanoic acid methyl ester IUPAC Name: methyl 6-[3-(2-chloroethylcarbamoylamino)phenyl]hexanoate Traditional Name: 6-[3-(2-chloroethylcarbamoylamino)phenyl]hexanoic acid methyl ester Formula: C16H23ClN2O3 MolecularWeight: 326.81842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCC1=CC(=CC=C1)NC(=O)NCCCl

Isomeric SMILES

COC(=O)CCCCCC1=CC(=CC=C1)NC(=O)NCCCl

InChI

InChI=1S/C16H23ClN2O3/c1-22-15(20)9-4-2-3-6-13-7-5-8-14(12-13)19-16(21)18-11-10-17/h5,7-8,12H,2-4,6,9-11H2,1H3,(H2,18,19,21)