ethyl (3R)-4-[(1R)-3-(3-chlorophenyl)-1-(furan-2-yl)prop-2-ynyl]-3-methyl-piperazine-1-carboxylate

Systemtic Name: ethyl (3R)-4-[(1R)-3-(3-chlorophenyl)-1-(furan-2-yl)prop-2-ynyl]-3-methyl-piperazine-1-carboxylate Openeye Name: ethyl (3R)-4-[(1R)-3-(3-chlorophenyl)-1-(2-furyl)prop-2-ynyl]-3-methyl-piperazine-1-carboxylate CAS Name: (3R)-4-[(1R)-3-(3-chlorophenyl)-1-(2-furanyl)prop-2-ynyl]-3-methyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-4-[(1R)-3-(3-chlorophenyl)-1-(furan-2-yl)prop-2-ynyl]-3-methylpiperazine-1-carboxylate Traditional Name: (3R)-4-[(1R)-3-(3-chlorophenyl)-1-(2-furyl)prop-2-ynyl]-3-methyl-piperazine-1-carboxylic acid ethyl ester Formula: C21H23ClN2O3 MolecularWeight: 386.87192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(C(C1)C)C(C#CC2=CC(=CC=C2)Cl)C3=CC=CO3

Isomeric SMILES

CCOC(=O)N1CCN([C@@H](C1)C)[C@H](C#CC2=CC(=CC=C2)Cl)C3=CC=CO3

InChI

InChI=1S/C21H23ClN2O3/c1-3-26-21(25)23-11-12-24(16(2)15-23)19(20-8-5-13-27-20)10-9-17-6-4-7-18(22)14-17/h4-8,13-14,16,19H,3,11-12,15H2,1-2H3/t16-,19-/m1/s1