4-(5-oxidanylidenehexyl)-2-[2-[2-(2-oxidanylidenepropyl)phenoxy]ethyl]-1,4-benzoxazin-3-one

Systemtic Name: 4-(5-oxidanylidenehexyl)-2-[2-[2-(2-oxidanylidenepropyl)phenoxy]ethyl]-1,4-benzoxazin-3-one Openeye Name: 2-[2-(2-acetonylphenoxy)ethyl]-4-(5-oxohexyl)-1,4-benzoxazin-3-one CAS Name: 4-(5-oxohexyl)-2-[2-[2-(2-oxopropyl)phenoxy]ethyl]-1,4-benzoxazin-3-one IUPAC Name: 4-(5-oxohexyl)-2-[2-[2-(2-oxopropyl)phenoxy]ethyl]-1,4-benzoxazin-3-one Traditional Name: 2-[2-(2-acetonylphenoxy)ethyl]-4-(5-ketohexyl)-1,4-benzoxazin-3-one Formula: C25H29NO5 MolecularWeight: 423.50146

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCCN1C2=CC=CC=C2OC(C1=O)CCOC3=CC=CC=C3CC(=O)C

Isomeric SMILES

CC(=O)CCCCN1C2=CC=CC=C2OC(C1=O)CCOC3=CC=CC=C3CC(=O)C

InChI

InChI=1S/C25H29NO5/c1-18(27)9-7-8-15-26-21-11-4-6-13-23(21)31-24(25(26)29)14-16-30-22-12-5-3-10-20(22)17-19(2)28/h3-6,10-13,24H,7-9,14-17H2,1-2H3