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

Systemtic Name: ethyl 4-[4-[2-(1-oxidanylcyclohexyl)ethynyl]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[2-(1-hydroxycyclohexyl)ethynyl]benzoyl]piperazine-1-carboxylate CAS Name: 4-[[4-[2-(1-hydroxycyclohexyl)ethynyl]phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[2-(1-hydroxycyclohexyl)ethynyl]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-[2-(1-hydroxycyclohexyl)ethynyl]benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)C#CC3(CCCCC3)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)C#CC3(CCCCC3)O

InChI

InChI=1S/C22H28N2O4/c1-2-28-21(26)24-16-14-23(15-17-24)20(25)19-8-6-18(7-9-19)10-13-22(27)11-4-3-5-12-22/h6-9,27H,2-5,11-12,14-17H2,1H3