(2S)-1-[4-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl]cyclohexyl]carbonylpyrrolidine-2-carboxylate

Systemtic Name: (2S)-1-[4-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl]cyclohexyl]carbonylpyrrolidine-2-carboxylate Openeye Name: (2S)-1-[4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclohexanecarbonyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[oxo-[4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclohexyl]methyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S)-1-[4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclohexanecarbonyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[4-[(4-keto-1,2,3-benzotriazin-3-yl)methyl]cyclohexanecarbonyl]pyrrolidine-2-carboxylate Formula: C20H23N4O4- MolecularWeight: 383.42102

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2CCC(CC2)CN3C(=O)C4=CC=CC=C4N=N3)C(=O)[O-]

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C2CCC(CC2)CN3C(=O)C4=CC=CC=C4N=N3)C(=O)[O-]

InChI

InChI=1S/C20H24N4O4/c25-18(23-11-3-6-17(23)20(27)28)14-9-7-13(8-10-14)12-24-19(26)15-4-1-2-5-16(15)21-22-24/h1-2,4-5,13-14,17H,3,6-12H2,(H,27,28)/p-1/t13?,14?,17-/m0/s1