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

Systemtic Name: ethyl 4-[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-(3-hydroxy-3-methyl-but-1-ynyl)benzoyl]piperazine-1-carboxylate CAS Name: 4-[[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(3-hydroxy-3-methylbut-1-ynyl)benzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-(3-hydroxy-3-methyl-but-1-ynyl)benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H24N2O4 MolecularWeight: 344.40486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O4/c1-4-25-18(23)21-13-11-20(12-14-21)17(22)16-7-5-15(6-8-16)9-10-19(2,3)24/h5-8,24H,4,11-14H2,1-3H3