ethyl 4-[4-(3-chlorophenyl)-1-oxidanyl-but-3-yn-2-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-(3-chlorophenyl)-1-oxidanyl-but-3-yn-2-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-(3-chlorophenyl)-1-(hydroxymethyl)prop-2-ynyl]piperazine-1-carboxylate CAS Name: 4-[4-(3-chlorophenyl)-1-hydroxybut-3-yn-2-yl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(3-chlorophenyl)-1-hydroxybut-3-yn-2-yl]piperazine-1-carboxylate Traditional Name: 4-[3-(3-chlorophenyl)-1-methylol-prop-2-ynyl]piperazine-1-carboxylic acid ethyl ester Formula: C17H21ClN2O3 MolecularWeight: 336.81324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(CO)C#CC2=CC(=CC=C2)Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(CO)C#CC2=CC(=CC=C2)Cl

InChI

InChI=1S/C17H21ClN2O3/c1-2-23-17(22)20-10-8-19(9-11-20)16(13-21)7-6-14-4-3-5-15(18)12-14/h3-5,12,16,21H,2,8-11,13H2,1H3