methyl 3-[2-(4-acetamido-1-oxidanyl-butyl)-5-chloranyl-phenyl]propanoate

Systemtic Name: methyl 3-[2-(4-acetamido-1-oxidanyl-butyl)-5-chloranyl-phenyl]propanoate Openeye Name: methyl 3-[2-(4-acetamido-1-hydroxy-butyl)-5-chloro-phenyl]propanoate CAS Name: 3-[2-(4-acetamido-1-hydroxybutyl)-5-chlorophenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(4-acetamido-1-hydroxybutyl)-5-chlorophenyl]propanoate Traditional Name: 3-[2-(4-acetamido-1-hydroxy-butyl)-5-chloro-phenyl]propionic acid methyl ester Formula: C16H22ClNO4 MolecularWeight: 327.80318

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCC(C1=C(C=C(C=C1)Cl)CCC(=O)OC)O

Isomeric SMILES

CC(=O)NCCCC(C1=C(C=C(C=C1)Cl)CCC(=O)OC)O

InChI

InChI=1S/C16H22ClNO4/c1-11(19)18-9-3-4-15(20)14-7-6-13(17)10-12(14)5-8-16(21)22-2/h6-7,10,15,20H,3-5,8-9H2,1-2H3,(H,18,19)