1-[4-[2-(1-oxidanylcyclohexyl)ethynyl]phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: 1-[4-[2-(1-oxidanylcyclohexyl)ethynyl]phenyl]carbonylpiperidine-4-carboxylate Openeye Name: 1-[4-[2-(1-hydroxycyclohexyl)ethynyl]benzoyl]piperidine-4-carboxylate CAS Name: 1-[[4-[2-(1-hydroxycyclohexyl)ethynyl]phenyl]-oxomethyl]-4-piperidinecarboxylate IUPAC Name: 1-[4-[2-(1-hydroxycyclohexyl)ethynyl]benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[2-(1-hydroxycyclohexyl)ethynyl]benzoyl]isonipecotate Formula: C21H24NO4- MolecularWeight: 354.41956

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#CC2=CC=C(C=C2)C(=O)N3CCC(CC3)C(=O)[O-])O

Isomeric SMILES

C1CCC(CC1)(C#CC2=CC=C(C=C2)C(=O)N3CCC(CC3)C(=O)[O-])O

InChI

InChI=1S/C21H25NO4/c23-19(22-14-9-18(10-15-22)20(24)25)17-6-4-16(5-7-17)8-13-21(26)11-2-1-3-12-21/h4-7,18,26H,1-3,9-12,14-15H2,(H,24,25)/p-1