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

Systemtic Name: 4-[[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)hexanoylamino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)hexanoylamino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)hexyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)hexanoylamino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[2-(4-keto-1,2,3-benzotriazin-3-yl)hexanoylamino]methyl]cyclohexanecarboxylic acid Formula: C21H28N4O4 MolecularWeight: 400.47142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NCC1CCC(CC1)C(=O)O)N2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CCCCC(C(=O)NCC1CCC(CC1)C(=O)O)N2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C21H28N4O4/c1-2-3-8-18(25-20(27)16-6-4-5-7-17(16)23-24-25)19(26)22-13-14-9-11-15(12-10-14)21(28)29/h4-7,14-15,18H,2-3,8-13H2,1H3,(H,22,26)(H,28,29)