tert-butyl N-[4-[2-(3-chlorophenyl)ethynyl]-4-oxidanyl-cyclohexyl]carbamate

Systemtic Name: tert-butyl N-[4-[2-(3-chlorophenyl)ethynyl]-4-oxidanyl-cyclohexyl]carbamate Openeye Name: tert-butyl N-[4-[2-(3-chlorophenyl)ethynyl]-4-hydroxy-cyclohexyl]carbamate CAS Name: N-[4-[2-(3-chlorophenyl)ethynyl]-4-hydroxycyclohexyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[2-(3-chlorophenyl)ethynyl]-4-hydroxycyclohexyl]carbamate Traditional Name: N-[4-[2-(3-chlorophenyl)ethynyl]-4-hydroxy-cyclohexyl]carbamic acid tert-butyl ester Formula: C19H24ClNO3 MolecularWeight: 349.85176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCC(CC1)(C#CC2=CC(=CC=C2)Cl)O

Isomeric SMILES

CC(C)(C)OC(=O)NC1CCC(CC1)(C#CC2=CC(=CC=C2)Cl)O

InChI

InChI=1S/C19H24ClNO3/c1-18(2,3)24-17(22)21-16-8-11-19(23,12-9-16)10-7-14-5-4-6-15(20)13-14/h4-6,13,16,23H,8-9,11-12H2,1-3H3,(H,21,22)