methyl 3-[4-[2-(2-chloroethylamino)-1-oxidanyl-ethyl]phenyl]propanoate

Systemtic Name: methyl 3-[4-[2-(2-chloroethylamino)-1-oxidanyl-ethyl]phenyl]propanoate Openeye Name: methyl 3-[4-[2-(2-chloroethylamino)-1-hydroxy-ethyl]phenyl]propanoate CAS Name: 3-[4-[2-(2-chloroethylamino)-1-hydroxyethyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[2-(2-chloroethylamino)-1-hydroxyethyl]phenyl]propanoate Traditional Name: 3-[4-[2-(2-chloroethylamino)-1-hydroxy-ethyl]phenyl]propionic acid methyl ester Formula: C14H20ClNO3 MolecularWeight: 285.7665

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)C(CNCCCl)O

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)C(CNCCCl)O

InChI

InChI=1S/C14H20ClNO3/c1-19-14(18)7-4-11-2-5-12(6-3-11)13(17)10-16-9-8-15/h2-3,5-6,13,16-17H,4,7-10H2,1H3