ethyl 2-[(3R)-3-(chloromethyl)-4-(phenylmethyl)piperazin-1-yl]ethanoate

Systemtic Name: ethyl 2-[(3R)-3-(chloromethyl)-4-(phenylmethyl)piperazin-1-yl]ethanoate Openeye Name: ethyl 2-[(3R)-4-benzyl-3-(chloromethyl)piperazin-1-yl]acetate CAS Name: 2-[(3R)-3-(chloromethyl)-4-(phenylmethyl)-1-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(3R)-4-benzyl-3-(chloromethyl)piperazin-1-yl]acetate Traditional Name: 2-[(3R)-4-benzyl-3-(chloromethyl)piperazino]acetic acid ethyl ester Formula: C16H23ClN2O2 MolecularWeight: 310.81902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCN(C(C1)CCl)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CN1CCN([C@H](C1)CCl)CC2=CC=CC=C2

InChI

InChI=1S/C16H23ClN2O2/c1-2-21-16(20)13-18-8-9-19(15(10-17)12-18)11-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3/t15-/m0/s1