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

Systemtic Name: 2-[2-[2-(4-nonyl-3-oxidanylidene-1,4-benzoxazin-2-yl)ethoxy]phenyl]ethanoic acid Openeye Name: 2-[2-[2-(4-nonyl-3-oxo-1,4-benzoxazin-2-yl)ethoxy]phenyl]acetic acid CAS Name: 2-[2-[2-(4-nonyl-3-oxo-1,4-benzoxazin-2-yl)ethoxy]phenyl]acetic acid IUPAC Name: 2-[2-[2-(4-nonyl-3-oxo-1,4-benzoxazin-2-yl)ethoxy]phenyl]acetic acid Traditional Name: 2-[2-[2-(3-keto-4-nonyl-1,4-benzoxazin-2-yl)ethoxy]phenyl]acetic acid Formula: C27H35NO5 MolecularWeight: 453.5705

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C2=CC=CC=C2OC(C1=O)CCOC3=CC=CC=C3CC(=O)O

Isomeric SMILES

CCCCCCCCCN1C2=CC=CC=C2OC(C1=O)CCOC3=CC=CC=C3CC(=O)O

InChI

InChI=1S/C27H35NO5/c1-2-3-4-5-6-7-12-18-28-22-14-9-11-16-24(22)33-25(27(28)31)17-19-32-23-15-10-8-13-21(23)20-26(29)30/h8-11,13-16,25H,2-7,12,17-20H2,1H3,(H,29,30)