3-[4-[2-chloroethyl-(phenylmethyl)amino]phenyl]propanoic acid

Systemtic Name: 3-[4-[2-chloroethyl-(phenylmethyl)amino]phenyl]propanoic acid Openeye Name: 3-[4-[benzyl(2-chloroethyl)amino]phenyl]propanoic acid CAS Name: 3-[4-[2-chloroethyl-(phenylmethyl)amino]phenyl]propanoic acid IUPAC Name: 3-[4-[benzyl(2-chloroethyl)amino]phenyl]propanoic acid Traditional Name: 3-[4-[benzyl(2-chloroethyl)amino]phenyl]propionic acid Formula: C18H20ClNO2 MolecularWeight: 317.8099

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCCl)C2=CC=C(C=C2)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN(CCCl)C2=CC=C(C=C2)CCC(=O)O

InChI

InChI=1S/C18H20ClNO2/c19-12-13-20(14-16-4-2-1-3-5-16)17-9-6-15(7-10-17)8-11-18(21)22/h1-7,9-10H,8,11-14H2,(H,21,22)