(phenylmethyl) (2S)-2-[5-(chloromethyl)-1H-pyrazol-3-yl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-[5-(chloromethyl)-1H-pyrazol-3-yl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-[5-(chloromethyl)-1H-pyrazol-3-yl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[5-(chloromethyl)-1H-pyrazol-3-yl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[5-(chloromethyl)-1H-pyrazol-3-yl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[5-(chloromethyl)-1H-pyrazol-3-yl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C16H18ClN3O2 MolecularWeight: 319.78602

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C3=NNC(=C3)CCl

Isomeric SMILES

C1C[C@H](N(C1)C(=O)OCC2=CC=CC=C2)C3=NNC(=C3)CCl

InChI

InChI=1S/C16H18ClN3O2/c17-10-13-9-14(19-18-13)15-7-4-8-20(15)16(21)22-11-12-5-2-1-3-6-12/h1-3,5-6,9,15H,4,7-8,10-11H2,(H,18,19)/t15-/m0/s1