3-(2-chloroethylcarbamoylamino)-3-(4-methylphenyl)propanoic acid

Systemtic Name: 3-(2-chloroethylcarbamoylamino)-3-(4-methylphenyl)propanoic acid Openeye Name: 3-(2-chloroethylcarbamoylamino)-3-(p-tolyl)propanoic acid CAS Name: 3-[[(2-chloroethylamino)-oxomethyl]amino]-3-(4-methylphenyl)propanoic acid IUPAC Name: 3-(2-chloroethylcarbamoylamino)-3-(4-methylphenyl)propanoic acid Traditional Name: 3-(2-chloroethylcarbamoylamino)-3-(p-tolyl)propionic acid Formula: C13H17ClN2O3 MolecularWeight: 284.73868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)O)NC(=O)NCCCl

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)O)NC(=O)NCCCl

InChI

InChI=1S/C13H17ClN2O3/c1-9-2-4-10(5-3-9)11(8-12(17)18)16-13(19)15-7-6-14/h2-5,11H,6-8H2,1H3,(H,17,18)(H2,15,16,19)