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

Systemtic Name: 2-azanyl-3-[4-[bis(2-chloroethyl)amino]-2-methoxy-phenyl]propanoic acid Openeye Name: 2-amino-3-[4-[bis(2-chloroethyl)amino]-2-methoxy-phenyl]propanoic acid CAS Name: 2-amino-3-[4-[bis(2-chloroethyl)amino]-2-methoxyphenyl]propanoic acid IUPAC Name: 2-amino-3-[4-[bis(2-chloroethyl)amino]-2-methoxyphenyl]propanoic acid Traditional Name: 2-amino-3-[4-[bis(2-chloroethyl)amino]-2-methoxy-phenyl]propionic acid Formula: C14H20Cl2N2O3 MolecularWeight: 335.2262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N(CCCl)CCCl)CC(C(=O)O)N

Isomeric SMILES

COC1=C(C=CC(=C1)N(CCCl)CCCl)CC(C(=O)O)N

InChI

InChI=1S/C14H20Cl2N2O3/c1-21-13-9-11(18(6-4-15)7-5-16)3-2-10(13)8-12(17)14(19)20/h2-3,9,12H,4-8,17H2,1H3,(H,19,20)