methyl (2S)-2-azanyl-3-[3-[bis(2-chloroethyl)amino]-4-oxidanyl-phenyl]propanoate

Systemtic Name: methyl (2S)-2-azanyl-3-[3-[bis(2-chloroethyl)amino]-4-oxidanyl-phenyl]propanoate Openeye Name: methyl (2S)-2-amino-3-[3-[bis(2-chloroethyl)amino]-4-hydroxy-phenyl]propanoate CAS Name: (2S)-2-amino-3-[3-[bis(2-chloroethyl)amino]-4-hydroxyphenyl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-amino-3-[3-[bis(2-chloroethyl)amino]-4-hydroxyphenyl]propanoate Traditional Name: (2S)-2-amino-3-[3-[bis(2-chloroethyl)amino]-4-hydroxy-phenyl]propionic acid methyl ester Formula: C14H20Cl2N2O3 MolecularWeight: 335.2262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)[C@H](CC1=CC(=C(C=C1)O)N(CCCl)CCCl)N

InChI

InChI=1S/C14H20Cl2N2O3/c1-21-14(20)11(17)8-10-2-3-13(19)12(9-10)18(6-4-15)7-5-16/h2-3,9,11,19H,4-8,17H2,1H3/t11-/m0/s1