methyl N-[[2-chloranyl-5-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]methyl]carbamate

Systemtic Name: methyl N-[[2-chloranyl-5-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]methyl]carbamate Openeye Name: methyl N-[[2-chloro-5-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]methyl]carbamate CAS Name: N-[[2-chloro-5-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methyl]carbamic acid methyl ester IUPAC Name: methyl N-[[2-chloro-5-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methyl]carbamate Traditional Name: N-[2-chloro-5-(3-hydroxy-3-methyl-but-1-ynyl)benzyl]carbamic acid methyl ester Formula: C14H16ClNO3 MolecularWeight: 281.73474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC(=C(C=C1)Cl)CNC(=O)OC)O

Isomeric SMILES

CC(C)(C#CC1=CC(=C(C=C1)Cl)CNC(=O)OC)O

InChI

InChI=1S/C14H16ClNO3/c1-14(2,18)7-6-10-4-5-12(15)11(8-10)9-16-13(17)19-3/h4-5,8,18H,9H2,1-3H3,(H,16,17)