6-[3-(2-chloroethylcarbamoylamino)phenyl]hexanoic acid

Systemtic Name: 6-[3-(2-chloroethylcarbamoylamino)phenyl]hexanoic acid Openeye Name: 6-[3-(2-chloroethylcarbamoylamino)phenyl]hexanoic acid CAS Name: 6-[3-[[(2-chloroethylamino)-oxomethyl]amino]phenyl]hexanoic acid IUPAC Name: 6-[3-(2-chloroethylcarbamoylamino)phenyl]hexanoic acid Traditional Name: 6-[3-(2-chloroethylcarbamoylamino)phenyl]hexanoic acid Formula: C15H21ClN2O3 MolecularWeight: 312.79184

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)NCCCl)CCCCCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)NCCCl)CCCCCC(=O)O

InChI

InChI=1S/C15H21ClN2O3/c16-9-10-17-15(21)18-13-7-4-6-12(11-13)5-2-1-3-8-14(19)20/h4,6-7,11H,1-3,5,8-10H2,(H,19,20)(H2,17,18,21)