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

Systemtic Name: ethyl (3R)-4-[(3S)-1-(3-chlorophenyl)pent-1-yn-3-yl]-3-methyl-piperazine-1-carboxylate Openeye Name: ethyl (3R)-4-[(1S)-3-(3-chlorophenyl)-1-ethyl-prop-2-ynyl]-3-methyl-piperazine-1-carboxylate CAS Name: (3R)-4-[(3S)-1-(3-chlorophenyl)pent-1-yn-3-yl]-3-methyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-4-[(3S)-1-(3-chlorophenyl)pent-1-yn-3-yl]-3-methylpiperazine-1-carboxylate Traditional Name: (3R)-4-[(1S)-3-(3-chlorophenyl)-1-ethyl-prop-2-ynyl]-3-methyl-piperazine-1-carboxylic acid ethyl ester Formula: C19H25ClN2O2 MolecularWeight: 348.867

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#CC1=CC(=CC=C1)Cl)N2CCN(CC2C)C(=O)OCC

Isomeric SMILES

CC[C@@H](C#CC1=CC(=CC=C1)Cl)N2CCN(C[C@H]2C)C(=O)OCC

InChI

InChI=1S/C19H25ClN2O2/c1-4-18(10-9-16-7-6-8-17(20)13-16)22-12-11-21(14-15(22)3)19(23)24-5-2/h6-8,13,15,18H,4-5,11-12,14H2,1-3H3/t15-,18+/m1/s1