4-[[[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)-2-phenyl-ethanoyl]amino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)-2-phenyl-ethanoyl]amino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[[2-(4-oxo-1,2,3-benzotriazin-3-yl)-2-phenyl-acetyl]amino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)-2-phenylethyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[[2-(4-oxo-1,2,3-benzotriazin-3-yl)-2-phenylacetyl]amino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[[2-(4-keto-1,2,3-benzotriazin-3-yl)-2-phenyl-acetyl]amino]methyl]cyclohexanecarboxylic acid Formula: C23H24N4O4 MolecularWeight: 420.46106

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNC(=O)C(C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4N=N3)C(=O)O

Isomeric SMILES

C1CC(CCC1CNC(=O)C(C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4N=N3)C(=O)O

InChI

InChI=1S/C23H24N4O4/c28-21(24-14-15-10-12-17(13-11-15)23(30)31)20(16-6-2-1-3-7-16)27-22(29)18-8-4-5-9-19(18)25-26-27/h1-9,15,17,20H,10-14H2,(H,24,28)(H,30,31)