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

Systemtic Name: 2-ethoxy-3-[4-[3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propyl]phenyl]propanoic acid Openeye Name: 2-ethoxy-3-[4-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propyl]phenyl]propanoic acid CAS Name: 2-ethoxy-3-[4-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propyl]phenyl]propanoic acid IUPAC Name: 2-ethoxy-3-[4-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propyl]phenyl]propanoic acid Traditional Name: 2-ethoxy-3-[4-[3-(4-keto-1,2,3-benzotriazin-3-yl)propyl]phenyl]propionic acid Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)CCCN2C(=O)C3=CC=CC=C3N=N2)C(=O)O

Isomeric SMILES

CCOC(CC1=CC=C(C=C1)CCCN2C(=O)C3=CC=CC=C3N=N2)C(=O)O

InChI

InChI=1S/C21H23N3O4/c1-2-28-19(21(26)27)14-16-11-9-15(10-12-16)6-5-13-24-20(25)17-7-3-4-8-18(17)22-23-24/h3-4,7-12,19H,2,5-6,13-14H2,1H3,(H,26,27)