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

Systemtic Name: 2-butoxy-3-[4-[4-(7-chloranyl-4-oxidanylidene-2H-1,3-benzoxazin-3-yl)butoxy]phenyl]propanoic acid Openeye Name: 2-butoxy-3-[4-[4-(7-chloro-4-oxo-2H-1,3-benzoxazin-3-yl)butoxy]phenyl]propanoic acid CAS Name: 2-butoxy-3-[4-[4-(7-chloro-4-oxo-2H-1,3-benzoxazin-3-yl)butoxy]phenyl]propanoic acid IUPAC Name: 2-butoxy-3-[4-[4-(7-chloro-4-oxo-2H-1,3-benzoxazin-3-yl)butoxy]phenyl]propanoic acid Traditional Name: 2-butoxy-3-[4-[4-(7-chloro-4-keto-2H-1,3-benzoxazin-3-yl)butoxy]phenyl]propionic acid Formula: C25H30ClNO6 MolecularWeight: 475.9618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(CC1=CC=C(C=C1)OCCCCN2COC3=C(C2=O)C=CC(=C3)Cl)C(=O)O

Isomeric SMILES

CCCCOC(CC1=CC=C(C=C1)OCCCCN2COC3=C(C2=O)C=CC(=C3)Cl)C(=O)O

InChI

InChI=1S/C25H30ClNO6/c1-2-3-13-32-23(25(29)30)15-18-6-9-20(10-7-18)31-14-5-4-12-27-17-33-22-16-19(26)8-11-21(22)24(27)28/h6-11,16,23H,2-5,12-15,17H2,1H3,(H,29,30)