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

Systemtic Name: ethyl 1-[4-[2-(1-oxidanylcyclohexyl)ethynyl]phenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[4-[2-(1-hydroxycyclohexyl)ethynyl]benzoyl]piperidine-4-carboxylate CAS Name: 1-[[4-[2-(1-hydroxycyclohexyl)ethynyl]phenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[2-(1-hydroxycyclohexyl)ethynyl]benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[2-(1-hydroxycyclohexyl)ethynyl]benzoyl]isonipecotic acid ethyl ester Formula: C23H29NO4 MolecularWeight: 383.48066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)C#CC3(CCCCC3)O

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)C#CC3(CCCCC3)O

InChI

InChI=1S/C23H29NO4/c1-2-28-22(26)20-11-16-24(17-12-20)21(25)19-8-6-18(7-9-19)10-15-23(27)13-4-3-5-14-23/h6-9,20,27H,2-5,11-14,16-17H2,1H3