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

Systemtic Name: 4-[[4-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)butanoylamino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[1-oxo-4-(4-oxo-1,2,3-benzotriazin-3-yl)butyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[4-(4-keto-1,2,3-benzotriazin-3-yl)butanoylamino]methyl]cyclohexanecarboxylic acid Formula: C19H24N4O4 MolecularWeight: 372.41826

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNC(=O)CCCN2C(=O)C3=CC=CC=C3N=N2)C(=O)O

Isomeric SMILES

C1CC(CCC1CNC(=O)CCCN2C(=O)C3=CC=CC=C3N=N2)C(=O)O

InChI

InChI=1S/C19H24N4O4/c24-17(20-12-13-7-9-14(10-8-13)19(26)27)6-3-11-23-18(25)15-4-1-2-5-16(15)21-22-23/h1-2,4-5,13-14H,3,6-12H2,(H,20,24)(H,26,27)