methyl 2-chloranyl-5-(methylamino)-3-oxidanyl-5-phenyl-pentanoate

Systemtic Name: methyl 2-chloranyl-5-(methylamino)-3-oxidanyl-5-phenyl-pentanoate Openeye Name: methyl 2-chloro-3-hydroxy-5-(methylamino)-5-phenyl-pentanoate CAS Name: 2-chloro-3-hydroxy-5-(methylamino)-5-phenylpentanoic acid methyl ester IUPAC Name: methyl 2-chloro-3-hydroxy-5-(methylamino)-5-phenylpentanoate Traditional Name: 2-chloro-3-hydroxy-5-(methylamino)-5-phenyl-valeric acid methyl ester Formula: C13H18ClNO3 MolecularWeight: 271.73992

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Descriptors Computed from Structure

Canonical SMILES:

CNC(CC(C(C(=O)OC)Cl)O)C1=CC=CC=C1

Isomeric SMILES

CNC(CC(C(C(=O)OC)Cl)O)C1=CC=CC=C1

InChI

InChI=1S/C13H18ClNO3/c1-15-10(9-6-4-3-5-7-9)8-11(16)12(14)13(17)18-2/h3-7,10-12,15-16H,8H2,1-2H3