2-[2-[2-(4-octyl-3-oxidanylidene-1,4-benzoxazin-2-yl)ethoxy]phenyl]ethanoic acid

Systemtic Name: 2-[2-[2-(4-octyl-3-oxidanylidene-1,4-benzoxazin-2-yl)ethoxy]phenyl]ethanoic acid Openeye Name: 2-[2-[2-(4-octyl-3-oxo-1,4-benzoxazin-2-yl)ethoxy]phenyl]acetic acid CAS Name: 2-[2-[2-(4-octyl-3-oxo-1,4-benzoxazin-2-yl)ethoxy]phenyl]acetic acid IUPAC Name: 2-[2-[2-(4-octyl-3-oxo-1,4-benzoxazin-2-yl)ethoxy]phenyl]acetic acid Traditional Name: 2-[2-[2-(3-keto-4-octyl-1,4-benzoxazin-2-yl)ethoxy]phenyl]acetic acid Formula: C26H33NO5 MolecularWeight: 439.54392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=CC=CC=C2OC(C1=O)CCOC3=CC=CC=C3CC(=O)O

Isomeric SMILES

CCCCCCCCN1C2=CC=CC=C2OC(C1=O)CCOC3=CC=CC=C3CC(=O)O

InChI

InChI=1S/C26H33NO5/c1-2-3-4-5-6-11-17-27-21-13-8-10-15-23(21)32-24(26(27)30)16-18-31-22-14-9-7-12-20(22)19-25(28)29/h7-10,12-15,24H,2-6,11,16-19H2,1H3,(H,28,29)