3-oxidanyl-2-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethyl]-5-(4-phenylphenyl)pentanoic acid

Systemtic Name: 3-oxidanyl-2-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethyl]-5-(4-phenylphenyl)pentanoic acid Openeye Name: 3-hydroxy-2-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]-5-(4-phenylphenyl)pentanoic acid CAS Name: 3-hydroxy-2-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]-5-(4-phenylphenyl)pentanoic acid IUPAC Name: 3-hydroxy-2-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]-5-(4-phenylphenyl)pentanoic acid Traditional Name: 3-hydroxy-2-[2-(4-keto-1,2,3-benzotriazin-3-yl)ethyl]-5-(4-phenylphenyl)valeric acid Formula: C26H25N3O4 MolecularWeight: 443.4944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)CCC(C(CCN3C(=O)C4=CC=CC=C4N=N3)C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)CCC(C(CCN3C(=O)C4=CC=CC=C4N=N3)C(=O)O)O

InChI

InChI=1S/C26H25N3O4/c30-24(15-12-18-10-13-20(14-11-18)19-6-2-1-3-7-19)22(26(32)33)16-17-29-25(31)21-8-4-5-9-23(21)27-28-29/h1-11,13-14,22,24,30H,12,15-17H2,(H,32,33)