methyl (2S)-1-[[3-(3-chlorophenyl)-1-methyl-pyrazol-4-yl]methyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-[[3-(3-chlorophenyl)-1-methyl-pyrazol-4-yl]methyl]pyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[[3-(3-chlorophenyl)-1-methyl-pyrazol-4-yl]methyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[[3-(3-chlorophenyl)-1-methyl-4-pyrazolyl]methyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[[3-(3-chlorophenyl)-1-methyl-pyrazol-4-yl]methyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C17H20ClN3O2 MolecularWeight: 333.8126

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC(=CC=C2)Cl)CN3CCCC3C(=O)OC

Isomeric SMILES

CN1C=C(C(=N1)C2=CC(=CC=C2)Cl)CN3CCC[C@H]3C(=O)OC

InChI

InChI=1S/C17H20ClN3O2/c1-20-10-13(11-21-8-4-7-15(21)17(22)23-2)16(19-20)12-5-3-6-14(18)9-12/h3,5-6,9-10,15H,4,7-8,11H2,1-2H3/t15-/m0/s1