[(2S)-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl] 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl] 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl] 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate CAS Name: 1-[(2-chlorophenyl)methyl]-4-pyrazolecarboxylic acid [(2S)-1-oxo-1-(1-pyrrolidinyl)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate Traditional Name: 1-(2-chlorobenzyl)pyrazole-4-carboxylic acid [(1S)-2-keto-1-methyl-2-pyrrolidino-ethyl] ester Formula: C18H20ClN3O3 MolecularWeight: 361.8227

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)OC(=O)C2=CN(N=C2)CC3=CC=CC=C3Cl

Isomeric SMILES

C[C@@H](C(=O)N1CCCC1)OC(=O)C2=CN(N=C2)CC3=CC=CC=C3Cl

InChI

InChI=1S/C18H20ClN3O3/c1-13(17(23)21-8-4-5-9-21)25-18(24)15-10-20-22(12-15)11-14-6-2-3-7-16(14)19/h2-3,6-7,10,12-13H,4-5,8-9,11H2,1H3/t13-/m0/s1