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

Systemtic Name: ethyl (3S)-4-[(2R)-4-(3-chlorophenyl)but-3-yn-2-yl]-3-methyl-piperazine-1-carboxylate Openeye Name: ethyl (3S)-4-[(1R)-3-(3-chlorophenyl)-1-methyl-prop-2-ynyl]-3-methyl-piperazine-1-carboxylate CAS Name: (3S)-4-[(2R)-4-(3-chlorophenyl)but-3-yn-2-yl]-3-methyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-4-[(2R)-4-(3-chlorophenyl)but-3-yn-2-yl]-3-methylpiperazine-1-carboxylate Traditional Name: (3S)-4-[(1R)-3-(3-chlorophenyl)-1-methyl-prop-2-ynyl]-3-methyl-piperazine-1-carboxylic acid ethyl ester Formula: C18H23ClN2O2 MolecularWeight: 334.84042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(C(C1)C)C(C)C#CC2=CC(=CC=C2)Cl

Isomeric SMILES

CCOC(=O)N1CCN([C@H](C1)C)[C@H](C)C#CC2=CC(=CC=C2)Cl

InChI

InChI=1S/C18H23ClN2O2/c1-4-23-18(22)20-10-11-21(15(3)13-20)14(2)8-9-16-6-5-7-17(19)12-16/h5-7,12,14-15H,4,10-11,13H2,1-3H3/t14-,15+/m1/s1