ethyl 4-[(2S)-3-(1-ethynylcyclohexyl)oxy-2-oxidanyl-propyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(2S)-3-(1-ethynylcyclohexyl)oxy-2-oxidanyl-propyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(2S)-3-(1-ethynylcyclohexoxy)-2-hydroxy-propyl]piperazine-1-carboxylate CAS Name: 4-[(2S)-3-(1-ethynylcyclohexyl)oxy-2-hydroxypropyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2S)-3-(1-ethynylcyclohexyl)oxy-2-hydroxypropyl]piperazine-1-carboxylate Traditional Name: 4-[(2S)-3-(1-ethynylcyclohexoxy)-2-hydroxy-propyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H30N2O4 MolecularWeight: 338.4418

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC(COC2(CCCCC2)C#C)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C[C@@H](COC2(CCCCC2)C#C)O

InChI

InChI=1S/C18H30N2O4/c1-3-18(8-6-5-7-9-18)24-15-16(21)14-19-10-12-20(13-11-19)17(22)23-4-2/h1,16,21H,4-15H2,2H3/t16-/m0/s1