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

Systemtic Name: 2-azanyl-3-[4-[2-chloroethyl-(phenylmethyl)amino]phenyl]propanoic acid Openeye Name: 2-amino-3-[4-[benzyl(2-chloroethyl)amino]phenyl]propanoic acid CAS Name: 2-amino-3-[4-[2-chloroethyl-(phenylmethyl)amino]phenyl]propanoic acid IUPAC Name: 2-amino-3-[4-[benzyl(2-chloroethyl)amino]phenyl]propanoic acid Traditional Name: 2-amino-3-[4-[benzyl(2-chloroethyl)amino]phenyl]propionic acid Formula: C18H21ClN2O2 MolecularWeight: 332.82454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN2O2/c19-10-11-21(13-15-4-2-1-3-5-15)16-8-6-14(7-9-16)12-17(20)18(22)23/h1-9,17H,10-13,20H2,(H,22,23)