methyl (2S)-1-[[1-(3-phenylpropyl)-1,2,3-triazol-4-yl]carbonyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-[[1-(3-phenylpropyl)-1,2,3-triazol-4-yl]carbonyl]pyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[1-(3-phenylpropyl)triazole-4-carbonyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[oxo-[1-(3-phenylpropyl)-4-triazolyl]methyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[1-(3-phenylpropyl)triazole-4-carbonyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[1-(3-phenylpropyl)triazole-4-carbonyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN1C(=O)C2=CN(N=N2)CCCC3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@@H]1CCCN1C(=O)C2=CN(N=N2)CCCC3=CC=CC=C3

InChI

InChI=1S/C18H22N4O3/c1-25-18(24)16-10-6-12-22(16)17(23)15-13-21(20-19-15)11-5-9-14-7-3-2-4-8-14/h2-4,7-8,13,16H,5-6,9-12H2,1H3/t16-/m0/s1