2-[bis(2-chloroethyl)amino]-3-phenyl-propanoic acid hydrochloride

Systemtic Name: 2-[bis(2-chloroethyl)amino]-3-phenyl-propanoic acid hydrochloride Openeye Name: 2-[bis(2-chloroethyl)amino]-3-phenyl-propanoic acid hydrochloride CAS Name: 2-[bis(2-chloroethyl)amino]-3-phenylpropanoic acid hydrochloride IUPAC Name: 2-[bis(2-chloroethyl)amino]-3-phenylpropanoic acid hydrochloride Traditional Name: 2-[bis(2-chloroethyl)amino]-3-phenyl-propionic acid hydrochloride Formula: C13H18Cl3NO2 MolecularWeight: 326.64652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)N(CCCl)CCCl.Cl

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)N(CCCl)CCCl.Cl

InChI

InChI=1S/C13H17Cl2NO2.ClH/c14-6-8-16(9-7-15)12(13(17)18)10-11-4-2-1-3-5-11;/h1-5,12H,6-10H2,(H,17,18);1H