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

Systemtic Name: methyl N-[4-[2-(4-chlorophenyl)ethynyl]-4-oxidanyl-cyclohexyl]carbamate Openeye Name: methyl N-[4-[2-(4-chlorophenyl)ethynyl]-4-hydroxy-cyclohexyl]carbamate CAS Name: N-[4-[2-(4-chlorophenyl)ethynyl]-4-hydroxycyclohexyl]carbamic acid methyl ester IUPAC Name: methyl N-[4-[2-(4-chlorophenyl)ethynyl]-4-hydroxycyclohexyl]carbamate Traditional Name: N-[4-[2-(4-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=C(C=C2)Cl)O

Isomeric SMILES

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

InChI

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