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

Systemtic Name: 4-[[4-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl]cyclohexyl]carbonylamino]butanoic acid Openeye Name: 4-[[4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclohexanecarbonyl]amino]butanoic acid CAS Name: 4-[[oxo-[4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclohexyl]methyl]amino]butanoic acid IUPAC Name: 4-[[4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclohexanecarbonyl]amino]butanoic acid Traditional Name: 4-[[4-[(4-keto-1,2,3-benzotriazin-3-yl)methyl]cyclohexanecarbonyl]amino]butyric acid Formula: C19H24N4O4 MolecularWeight: 372.41826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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