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

Systemtic Name: 1-[4-[2-(1-oxidanylcyclohexyl)ethynyl]phenyl]carbonylpiperidine-4-carboxylic acid Openeye Name: 1-[4-[2-(1-hydroxycyclohexyl)ethynyl]benzoyl]piperidine-4-carboxylic acid CAS Name: 1-[[4-[2-(1-hydroxycyclohexyl)ethynyl]phenyl]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4-[2-(1-hydroxycyclohexyl)ethynyl]benzoyl]piperidine-4-carboxylic acid Traditional Name: 1-[4-[2-(1-hydroxycyclohexyl)ethynyl]benzoyl]isonipecotic acid Formula: C21H25NO4 MolecularWeight: 355.4275

Click to see the large picture

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)