5-[3-(2-chloroethylcarbamoylamino)phenyl]pentanoic acid

Systemtic Name: 5-[3-(2-chloroethylcarbamoylamino)phenyl]pentanoic acid Openeye Name: 5-[3-(2-chloroethylcarbamoylamino)phenyl]pentanoic acid CAS Name: 5-[3-[[(2-chloroethylamino)-oxomethyl]amino]phenyl]pentanoic acid IUPAC Name: 5-[3-(2-chloroethylcarbamoylamino)phenyl]pentanoic acid Traditional Name: 5-[3-(2-chloroethylcarbamoylamino)phenyl]valeric acid Formula: C14H19ClN2O3 MolecularWeight: 298.76526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19ClN2O3/c15-8-9-16-14(20)17-12-6-3-5-11(10-12)4-1-2-7-13(18)19/h3,5-6,10H,1-2,4,7-9H2,(H,18,19)(H2,16,17,20)