2-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)hexanoylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)hexanoylamino]-3-phenyl-propanoic acid Openeye Name: 2-[2-(4-oxo-1,2,3-benzotriazin-3-yl)hexanoylamino]-3-phenyl-propanoic acid CAS Name: 2-[[1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)hexyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[2-(4-oxo-1,2,3-benzotriazin-3-yl)hexanoylamino]-3-phenylpropanoic acid Traditional Name: 2-[2-(4-keto-1,2,3-benzotriazin-3-yl)hexanoylamino]-3-phenyl-propionic acid Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)N2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CCCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)N2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C22H24N4O4/c1-2-3-13-19(26-21(28)16-11-7-8-12-17(16)24-25-26)20(27)23-18(22(29)30)14-15-9-5-4-6-10-15/h4-12,18-19H,2-3,13-14H2,1H3,(H,23,27)(H,29,30)