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

Systemtic Name: [3-[2-(3-methoxyphenyl)ethynyl]-3-oxidanyl-cyclohexyl]-methyl-carbamic acid Openeye Name: [3-hydroxy-3-[2-(3-methoxyphenyl)ethynyl]cyclohexyl]-methyl-carbamic acid CAS Name: [3-hydroxy-3-[2-(3-methoxyphenyl)ethynyl]cyclohexyl]-methylcarbamic acid IUPAC Name: [3-hydroxy-3-[2-(3-methoxyphenyl)ethynyl]cyclohexyl]-methylcarbamic acid Traditional Name: [3-hydroxy-3-[2-(3-methoxyphenyl)ethynyl]cyclohexyl]-methyl-carbamic acid Formula: C17H21NO4 MolecularWeight: 303.35294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO4/c1-18(16(19)20)14-6-4-9-17(21,12-14)10-8-13-5-3-7-15(11-13)22-2/h3,5,7,11,14,21H,4,6,9,12H2,1-2H3,(H,19,20)