(1,3-diphenylpyrazol-4-yl)methyl (3S)-5-oxidanylidene-1-phenethyl-pyrrolidine-3-carboxylate

Systemtic Name: (1,3-diphenylpyrazol-4-yl)methyl (3S)-5-oxidanylidene-1-phenethyl-pyrrolidine-3-carboxylate Openeye Name: (1,3-diphenylpyrazol-4-yl)methyl (3S)-5-oxo-1-phenethyl-pyrrolidine-3-carboxylate CAS Name: (3S)-5-oxo-1-phenethyl-3-pyrrolidinecarboxylic acid (1,3-diphenyl-4-pyrazolyl)methyl ester IUPAC Name: (1,3-diphenylpyrazol-4-yl)methyl (3S)-5-oxo-1-phenethylpyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-phenethyl-pyrrolidine-3-carboxylic acid (1,3-diphenylpyrazol-4-yl)methyl ester Formula: C29H27N3O3 MolecularWeight: 465.54298

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)CCC2=CC=CC=C2)C(=O)OCC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1[C@@H](CN(C1=O)CCC2=CC=CC=C2)C(=O)OCC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H27N3O3/c33-27-18-24(19-31(27)17-16-22-10-4-1-5-11-22)29(34)35-21-25-20-32(26-14-8-3-9-15-26)30-28(25)23-12-6-2-7-13-23/h1-15,20,24H,16-19,21H2/t24-/m0/s1