[3-[2-(3-chlorophenyl)ethynyl]-3-oxidanyl-cyclohexyl]-methyl-carbamic acid

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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