[3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]methyl 3-(1,3-benzodioxol-5-yl)propanoate

Systemtic Name: [3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]methyl 3-(1,3-benzodioxol-5-yl)propanoate Openeye Name: [3-(4-fluorophenyl)-4-oxo-quinazolin-2-yl]methyl 3-(1,3-benzodioxol-5-yl)propanoate CAS Name: 3-(1,3-benzodioxol-5-yl)propanoic acid [3-(4-fluorophenyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl 3-(1,3-benzodioxol-5-yl)propanoate Traditional Name: 3-(1,3-benzodioxol-5-yl)propionic acid [3-(4-fluorophenyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C25H19FN2O5 MolecularWeight: 446.427163

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCC(=O)OCC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCC(=O)OCC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)F

InChI

InChI=1S/C25H19FN2O5/c26-17-7-9-18(10-8-17)28-23(27-20-4-2-1-3-19(20)25(28)30)14-31-24(29)12-6-16-5-11-21-22(13-16)33-15-32-21/h1-5,7-11,13H,6,12,14-15H2