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

Systemtic Name: 2-[2-[2-(4-heptyl-3-oxidanylidene-1,4-benzoxazin-2-yl)ethoxy]phenyl]ethanoic acid Openeye Name: 2-[2-[2-(4-heptyl-3-oxo-1,4-benzoxazin-2-yl)ethoxy]phenyl]acetic acid CAS Name: 2-[2-[2-(4-heptyl-3-oxo-1,4-benzoxazin-2-yl)ethoxy]phenyl]acetic acid IUPAC Name: 2-[2-[2-(4-heptyl-3-oxo-1,4-benzoxazin-2-yl)ethoxy]phenyl]acetic acid Traditional Name: 2-[2-[2-(4-heptyl-3-keto-1,4-benzoxazin-2-yl)ethoxy]phenyl]acetic acid Formula: C25H31NO5 MolecularWeight: 425.51734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=CC=CC=C2OC(C1=O)CCOC3=CC=CC=C3CC(=O)O

Isomeric SMILES

CCCCCCCN1C2=CC=CC=C2OC(C1=O)CCOC3=CC=CC=C3CC(=O)O

InChI

InChI=1S/C25H31NO5/c1-2-3-4-5-10-16-26-20-12-7-9-14-22(20)31-23(25(26)29)15-17-30-21-13-8-6-11-19(21)18-24(27)28/h6-9,11-14,23H,2-5,10,15-18H2,1H3,(H,27,28)