ethyl 1-[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[4-(3-hydroxy-3-methyl-but-1-ynyl)benzoyl]piperidine-4-carboxylate CAS Name: 1-[[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(3-hydroxy-3-methylbut-1-ynyl)benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-(3-hydroxy-3-methyl-but-1-ynyl)benzoyl]isonipecotic acid ethyl ester Formula: C20H25NO4 MolecularWeight: 343.4168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO4/c1-4-25-19(23)17-10-13-21(14-11-17)18(22)16-7-5-15(6-8-16)9-12-20(2,3)24/h5-8,17,24H,4,10-11,13-14H2,1-3H3