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

Systemtic Name: 3-[4-[3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propyl]phenyl]-2-propan-2-yloxy-propanoic acid Openeye Name: 2-isopropoxy-3-[4-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propyl]phenyl]propanoic acid CAS Name: 3-[4-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propyl]phenyl]-2-propan-2-yloxypropanoic acid IUPAC Name: 3-[4-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propyl]phenyl]-2-propan-2-yloxypropanoic acid Traditional Name: 2-isopropoxy-3-[4-[3-(4-keto-1,2,3-benzotriazin-3-yl)propyl]phenyl]propionic acid Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4/c1-15(2)29-20(22(27)28)14-17-11-9-16(10-12-17)6-5-13-25-21(26)18-7-3-4-8-19(18)23-24-25/h3-4,7-12,15,20H,5-6,13-14H2,1-2H3,(H,27,28)