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

Systemtic Name: 4-[[[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)-3-phenyl-propanoyl]amino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[[2-(4-oxo-1,2,3-benzotriazin-3-yl)-3-phenyl-propanoyl]amino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)-3-phenylpropyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[[2-(4-oxo-1,2,3-benzotriazin-3-yl)-3-phenylpropanoyl]amino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[[2-(4-keto-1,2,3-benzotriazin-3-yl)-3-phenyl-propanoyl]amino]methyl]cyclohexanecarboxylic acid Formula: C24H26N4O4 MolecularWeight: 434.48764

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNC(=O)C(CC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4N=N3)C(=O)O

Isomeric SMILES

C1CC(CCC1CNC(=O)C(CC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4N=N3)C(=O)O

InChI

InChI=1S/C24H26N4O4/c29-22(25-15-17-10-12-18(13-11-17)24(31)32)21(14-16-6-2-1-3-7-16)28-23(30)19-8-4-5-9-20(19)26-27-28/h1-9,17-18,21H,10-15H2,(H,25,29)(H,31,32)