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

Systemtic Name: methyl N-[(3R)-3-[2-(3-chlorophenyl)ethynyl]-3-oxidanyl-cyclohexyl]-N-methyl-carbamate Openeye Name: methyl N-[(3R)-3-[2-(3-chlorophenyl)ethynyl]-3-hydroxy-cyclohexyl]-N-methyl-carbamate CAS Name: N-[(3R)-3-[2-(3-chlorophenyl)ethynyl]-3-hydroxycyclohexyl]-N-methylcarbamic acid methyl ester IUPAC Name: methyl N-[(3R)-3-[2-(3-chlorophenyl)ethynyl]-3-hydroxycyclohexyl]-N-methylcarbamate Traditional Name: N-[(3R)-3-[2-(3-chlorophenyl)ethynyl]-3-hydroxy-cyclohexyl]-N-methyl-carbamic acid methyl ester Formula: C17H20ClNO3 MolecularWeight: 321.7986

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCC(C1)(C#CC2=CC(=CC=C2)Cl)O)C(=O)OC

Isomeric SMILES

CN(C1CCC[C@@](C1)(C#CC2=CC(=CC=C2)Cl)O)C(=O)OC

InChI

InChI=1S/C17H20ClNO3/c1-19(16(20)22-2)15-7-4-9-17(21,12-15)10-8-13-5-3-6-14(18)11-13/h3,5-6,11,15,21H,4,7,9,12H2,1-2H3/t15?,17-/m0/s1