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

Systemtic Name: ethyl 4-[4-(3-chlorophenyl)-1-phenylmethoxy-but-3-yn-2-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[1-(benzyloxymethyl)-3-(3-chlorophenyl)prop-2-ynyl]piperazine-1-carboxylate CAS Name: 4-[4-(3-chlorophenyl)-1-phenylmethoxybut-3-yn-2-yl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(3-chlorophenyl)-1-phenylmethoxybut-3-yn-2-yl]piperazine-1-carboxylate Traditional Name: 4-[1-(benzoxymethyl)-3-(3-chlorophenyl)prop-2-ynyl]piperazine-1-carboxylic acid ethyl ester Formula: C24H27ClN2O3 MolecularWeight: 426.93578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(COCC2=CC=CC=C2)C#CC3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(COCC2=CC=CC=C2)C#CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C24H27ClN2O3/c1-2-30-24(28)27-15-13-26(14-16-27)23(12-11-20-9-6-10-22(25)17-20)19-29-18-21-7-4-3-5-8-21/h3-10,17,23H,2,13-16,18-19H2,1H3