3-[4-[3-(7-cyano-4-oxidanylidene-2H-1,3-benzoxazin-3-yl)butoxy]phenyl]-2-phenylmethoxy-propanoic acid

Systemtic Name: 3-[4-[3-(7-cyano-4-oxidanylidene-2H-1,3-benzoxazin-3-yl)butoxy]phenyl]-2-phenylmethoxy-propanoic acid Openeye Name: 2-benzyloxy-3-[4-[3-(7-cyano-4-oxo-2H-1,3-benzoxazin-3-yl)butoxy]phenyl]propanoic acid CAS Name: 3-[4-[3-(7-cyano-4-oxo-2H-1,3-benzoxazin-3-yl)butoxy]phenyl]-2-phenylmethoxypropanoic acid IUPAC Name: 3-[4-[3-(7-cyano-4-oxo-2H-1,3-benzoxazin-3-yl)butoxy]phenyl]-2-phenylmethoxypropanoic acid Traditional Name: 2-benzoxy-3-[4-[3-(7-cyano-4-keto-2H-1,3-benzoxazin-3-yl)butoxy]phenyl]propionic acid Formula: C29H28N2O6 MolecularWeight: 500.54242

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCOC1=CC=C(C=C1)CC(C(=O)O)OCC2=CC=CC=C2)N3COC4=C(C3=O)C=CC(=C4)C#N

Isomeric SMILES

CC(CCOC1=CC=C(C=C1)CC(C(=O)O)OCC2=CC=CC=C2)N3COC4=C(C3=O)C=CC(=C4)C#N

InChI

InChI=1S/C29H28N2O6/c1-20(31-19-37-26-16-23(17-30)9-12-25(26)28(31)32)13-14-35-24-10-7-21(8-11-24)15-27(29(33)34)36-18-22-5-3-2-4-6-22/h2-12,16,20,27H,13-15,18-19H2,1H3,(H,33,34)