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

Systemtic Name: ethyl 4-[4-(3-chlorophenyl)-1-ethoxy-but-3-yn-2-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-(3-chlorophenyl)-1-(ethoxymethyl)prop-2-ynyl]piperazine-1-carboxylate CAS Name: 4-[4-(3-chlorophenyl)-1-ethoxybut-3-yn-2-yl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(3-chlorophenyl)-1-ethoxybut-3-yn-2-yl]piperazine-1-carboxylate Traditional Name: 4-[3-(3-chlorophenyl)-1-(ethoxymethyl)prop-2-ynyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H25ClN2O3 MolecularWeight: 364.8664

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC(C#CC1=CC(=CC=C1)Cl)N2CCN(CC2)C(=O)OCC

Isomeric SMILES

CCOCC(C#CC1=CC(=CC=C1)Cl)N2CCN(CC2)C(=O)OCC

InChI

InChI=1S/C19H25ClN2O3/c1-3-24-15-18(9-8-16-6-5-7-17(20)14-16)21-10-12-22(13-11-21)19(23)25-4-2/h5-7,14,18H,3-4,10-13,15H2,1-2H3