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

Systemtic Name: 2-[2-[2-(3-oxidanylidene-4-pentyl-1,4-benzoxazin-2-yl)ethoxy]phenyl]ethanoic acid Openeye Name: 2-[2-[2-(3-oxo-4-pentyl-1,4-benzoxazin-2-yl)ethoxy]phenyl]acetic acid CAS Name: 2-[2-[2-(3-oxo-4-pentyl-1,4-benzoxazin-2-yl)ethoxy]phenyl]acetic acid IUPAC Name: 2-[2-[2-(3-oxo-4-pentyl-1,4-benzoxazin-2-yl)ethoxy]phenyl]acetic acid Traditional Name: 2-[2-[2-(4-amyl-3-keto-1,4-benzoxazin-2-yl)ethoxy]phenyl]acetic acid Formula: C23H27NO5 MolecularWeight: 397.46418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=CC=CC=C2OC(C1=O)CCOC3=CC=CC=C3CC(=O)O

Isomeric SMILES

CCCCCN1C2=CC=CC=C2OC(C1=O)CCOC3=CC=CC=C3CC(=O)O

InChI

InChI=1S/C23H27NO5/c1-2-3-8-14-24-18-10-5-7-12-20(18)29-21(23(24)27)13-15-28-19-11-6-4-9-17(19)16-22(25)26/h4-7,9-12,21H,2-3,8,13-16H2,1H3,(H,25,26)