6-[[4-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl]cyclohexyl]carbonylamino]hexanoic acid

Systemtic Name: 6-[[4-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl]cyclohexyl]carbonylamino]hexanoic acid Openeye Name: 6-[[4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclohexanecarbonyl]amino]hexanoic acid CAS Name: 6-[[oxo-[4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclohexyl]methyl]amino]hexanoic acid IUPAC Name: 6-[[4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclohexanecarbonyl]amino]hexanoic acid Traditional Name: 6-[[4-[(4-keto-1,2,3-benzotriazin-3-yl)methyl]cyclohexanecarbonyl]amino]hexanoic acid Formula: C21H28N4O4 MolecularWeight: 400.47142

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN2C(=O)C3=CC=CC=C3N=N2)C(=O)NCCCCCC(=O)O

Isomeric SMILES

C1CC(CCC1CN2C(=O)C3=CC=CC=C3N=N2)C(=O)NCCCCCC(=O)O

InChI

InChI=1S/C21H28N4O4/c26-19(27)8-2-1-5-13-22-20(28)16-11-9-15(10-12-16)14-25-21(29)17-6-3-4-7-18(17)23-24-25/h3-4,6-7,15-16H,1-2,5,8-14H2,(H,22,28)(H,26,27)