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

Systemtic Name: methyl N-[4-[2-(3-chlorophenyl)ethynyl]-4-oxidanyl-cyclohexyl]carbamate Openeye Name: methyl N-[4-[2-(3-chlorophenyl)ethynyl]-4-hydroxy-cyclohexyl]carbamate CAS Name: N-[4-[2-(3-chlorophenyl)ethynyl]-4-hydroxycyclohexyl]carbamic acid methyl ester IUPAC Name: methyl N-[4-[2-(3-chlorophenyl)ethynyl]-4-hydroxycyclohexyl]carbamate Traditional Name: N-[4-[2-(3-chlorophenyl)ethynyl]-4-hydroxy-cyclohexyl]carbamic acid methyl ester Formula: C16H18ClNO3 MolecularWeight: 307.77202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClNO3/c1-21-15(19)18-14-6-9-16(20,10-7-14)8-5-12-3-2-4-13(17)11-12/h2-4,11,14,20H,6-7,9-10H2,1H3,(H,18,19)