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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O4/c1-13(2)11-18(25-20(27)16-5-3-4-6-17(16)23-24-25)19(26)22-12-14-7-9-15(10-8-14)21(28)29/h3-6,13-15,18H,7-12H2,1-2H3,(H,22,26)(H,28,29)