2-azanyl-3-[5-[bis(2-chloroethyl)amino]-2-methyl-phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[5-[bis(2-chloroethyl)amino]-2-methyl-phenyl]propanoic acid Openeye Name: 2-amino-3-[5-[bis(2-chloroethyl)amino]-2-methyl-phenyl]propanoic acid CAS Name: 2-amino-3-[5-[bis(2-chloroethyl)amino]-2-methylphenyl]propanoic acid IUPAC Name: 2-amino-3-[5-[bis(2-chloroethyl)amino]-2-methylphenyl]propanoic acid Traditional Name: 2-amino-3-[5-[bis(2-chloroethyl)amino]-2-methyl-phenyl]propionic acid Formula: C14H20Cl2N2O2 MolecularWeight: 319.2268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(CCCl)CCCl)CC(C(=O)O)N

Isomeric SMILES

CC1=C(C=C(C=C1)N(CCCl)CCCl)CC(C(=O)O)N

InChI

InChI=1S/C14H20Cl2N2O2/c1-10-2-3-12(18(6-4-15)7-5-16)8-11(10)9-13(17)14(19)20/h2-3,8,13H,4-7,9,17H2,1H3,(H,19,20)