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

Systemtic Name: 2-ethoxy-3-[4-[(3-methyl-4-oxidanylidene-2H-1,3-benzoxazin-2-yl)methoxy]phenyl]propanoic acid Openeye Name: 2-ethoxy-3-[4-[(3-methyl-4-oxo-2H-1,3-benzoxazin-2-yl)methoxy]phenyl]propanoic acid CAS Name: 2-ethoxy-3-[4-[(3-methyl-4-oxo-2H-1,3-benzoxazin-2-yl)methoxy]phenyl]propanoic acid IUPAC Name: 2-ethoxy-3-[4-[(3-methyl-4-oxo-2H-1,3-benzoxazin-2-yl)methoxy]phenyl]propanoic acid Traditional Name: 2-ethoxy-3-[4-[(4-keto-3-methyl-2H-1,3-benzoxazin-2-yl)methoxy]phenyl]propionic acid Formula: C21H23NO6 MolecularWeight: 385.41042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)OCC2N(C(=O)C3=CC=CC=C3O2)C)C(=O)O

Isomeric SMILES

CCOC(CC1=CC=C(C=C1)OCC2N(C(=O)C3=CC=CC=C3O2)C)C(=O)O

InChI

InChI=1S/C21H23NO6/c1-3-26-18(21(24)25)12-14-8-10-15(11-9-14)27-13-19-22(2)20(23)16-6-4-5-7-17(16)28-19/h4-11,18-19H,3,12-13H2,1-2H3,(H,24,25)