methyl (2S)-1-[4-(1H-1,2,4-triazol-5-yl)phenyl]carbonylpyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-[4-(1H-1,2,4-triazol-5-yl)phenyl]carbonylpyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[4-(1H-1,2,4-triazol-5-yl)benzoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[oxo-[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[4-(1H-1,2,4-triazol-5-yl)benzoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[4-(1H-1,2,4-triazol-5-yl)benzoyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C15H16N4O3 MolecularWeight: 300.31254

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN1C(=O)C2=CC=C(C=C2)C3=NC=NN3

Isomeric SMILES

COC(=O)[C@@H]1CCCN1C(=O)C2=CC=C(C=C2)C3=NC=NN3

InChI

InChI=1S/C15H16N4O3/c1-22-15(21)12-3-2-8-19(12)14(20)11-6-4-10(5-7-11)13-16-9-17-18-13/h4-7,9,12H,2-3,8H2,1H3,(H,16,17,18)/t12-/m0/s1