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

Systemtic Name: 2-ethoxy-2-methyl-3-[4-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethoxy]phenyl]propanoic acid Openeye Name: 2-ethoxy-2-methyl-3-[4-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethoxy]phenyl]propanoic acid CAS Name: 2-ethoxy-2-methyl-3-[4-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethoxy]phenyl]propanoic acid IUPAC Name: 2-ethoxy-2-methyl-3-[4-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethoxy]phenyl]propanoic acid Traditional Name: 2-ethoxy-3-[4-[2-(4-keto-1,2,3-benzotriazin-3-yl)ethoxy]phenyl]-2-methyl-propionic acid Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C)(CC1=CC=C(C=C1)OCCN2C(=O)C3=CC=CC=C3N=N2)C(=O)O

Isomeric SMILES

CCOC(C)(CC1=CC=C(C=C1)OCCN2C(=O)C3=CC=CC=C3N=N2)C(=O)O

InChI

InChI=1S/C21H23N3O5/c1-3-29-21(2,20(26)27)14-15-8-10-16(11-9-15)28-13-12-24-19(25)17-6-4-5-7-18(17)22-23-24/h4-11H,3,12-14H2,1-2H3,(H,26,27)