methyl 2-[(5-chloranyl-2-oxidanyl-phenyl)methylamino]-3-methyl-butanoate

Systemtic Name: methyl 2-[(5-chloranyl-2-oxidanyl-phenyl)methylamino]-3-methyl-butanoate Openeye Name: methyl 2-[(5-chloro-2-hydroxy-phenyl)methylamino]-3-methyl-butanoate CAS Name: 2-[(5-chloro-2-hydroxyphenyl)methylamino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[(5-chloro-2-hydroxyphenyl)methylamino]-3-methylbutanoate Traditional Name: 2-[(5-chloro-2-hydroxy-benzyl)amino]-3-methyl-butyric acid methyl ester Formula: C13H18ClNO3 MolecularWeight: 271.73992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NCC1=C(C=CC(=C1)Cl)O

Isomeric SMILES

CC(C)C(C(=O)OC)NCC1=C(C=CC(=C1)Cl)O

InChI

InChI=1S/C13H18ClNO3/c1-8(2)12(13(17)18-3)15-7-9-6-10(14)4-5-11(9)16/h4-6,8,12,15-16H,7H2,1-3H3