3-[4-[2-(2-chloroethylamino)ethanoyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[2-(2-chloroethylamino)ethanoyl]phenyl]propanoic acid Openeye Name: 3-[4-[2-(2-chloroethylamino)acetyl]phenyl]propanoic acid CAS Name: 3-[4-[2-(2-chloroethylamino)-1-oxoethyl]phenyl]propanoic acid IUPAC Name: 3-[4-[2-(2-chloroethylamino)acetyl]phenyl]propanoic acid Traditional Name: 3-[4-[2-(2-chloroethylamino)acetyl]phenyl]propionic acid Formula: C13H16ClNO3 MolecularWeight: 269.72404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)O)C(=O)CNCCCl

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)O)C(=O)CNCCCl

InChI

InChI=1S/C13H16ClNO3/c14-7-8-15-9-12(16)11-4-1-10(2-5-11)3-6-13(17)18/h1-2,4-5,15H,3,6-9H2,(H,17,18)