ethyl ethanoate; 2-[[3-fluoranyl-5-(4-methoxyoxan-4-yl)phenoxy]methyl]quinazoline

Systemtic Name: ethyl ethanoate; 2-[[3-fluoranyl-5-(4-methoxyoxan-4-yl)phenoxy]methyl]quinazoline Openeye Name: ethyl acetate; 2-[[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)phenoxy]methyl]quinazoline CAS Name: acetic acid ethyl ester; 2-[[3-fluoro-5-(4-methoxy-4-oxanyl)phenoxy]methyl]quinazoline IUPAC Name: ethyl acetate; 2-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]quinazoline Traditional Name: acetic acid ethyl ester; 2-[[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)phenoxy]methyl]quinazoline Formula: C25H29FN2O5 MolecularWeight: 456.506563

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C.COC1(CCOCC1)C2=CC(=CC(=C2)F)OCC3=NC4=CC=CC=C4C=N3

Isomeric SMILES

CCOC(=O)C.COC1(CCOCC1)C2=CC(=CC(=C2)F)OCC3=NC4=CC=CC=C4C=N3

InChI

InChI=1S/C21H21FN2O3.C4H8O2/c1-25-21(6-8-26-9-7-21)16-10-17(22)12-18(11-16)27-14-20-23-13-15-4-2-3-5-19(15)24-20;1-3-6-4(2)5/h2-5,10-13H,6-9,14H2,1H3;3H2,1-2H3