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

Systemtic Name: ethyl 4-[4-(3-chlorophenyl)-1-methoxy-but-3-yn-2-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-(3-chlorophenyl)-1-(methoxymethyl)prop-2-ynyl]piperazine-1-carboxylate CAS Name: 4-[4-(3-chlorophenyl)-1-methoxybut-3-yn-2-yl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(3-chlorophenyl)-1-methoxybut-3-yn-2-yl]piperazine-1-carboxylate Traditional Name: 4-[3-(3-chlorophenyl)-1-(methoxymethyl)prop-2-ynyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H23ClN2O3 MolecularWeight: 350.83982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23ClN2O3/c1-3-24-18(22)21-11-9-20(10-12-21)17(14-23-2)8-7-15-5-4-6-16(19)13-15/h4-6,13,17H,3,9-12,14H2,1-2H3