methyl (2S)-1-[4-(4-acetamidopyrazol-1-yl)phenyl]carbonylpyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-[4-(4-acetamidopyrazol-1-yl)phenyl]carbonylpyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[4-(4-acetamidopyrazol-1-yl)benzoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[[4-(4-acetamido-1-pyrazolyl)phenyl]-oxomethyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[4-(4-acetamidopyrazol-1-yl)benzoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[4-(4-acetamidopyrazol-1-yl)benzoyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C18H20N4O4 MolecularWeight: 356.3758

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CN(N=C1)C2=CC=C(C=C2)C(=O)N3CCCC3C(=O)OC

Isomeric SMILES

CC(=O)NC1=CN(N=C1)C2=CC=C(C=C2)C(=O)N3CCC[C@H]3C(=O)OC

InChI

InChI=1S/C18H20N4O4/c1-12(23)20-14-10-19-22(11-14)15-7-5-13(6-8-15)17(24)21-9-3-4-16(21)18(25)26-2/h5-8,10-11,16H,3-4,9H2,1-2H3,(H,20,23)/t16-/m0/s1