(6-bromanyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoate

Systemtic Name: (6-bromanyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoate Openeye Name: (6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 3-(4-oxo-1H-quinazolin-2-yl)propanoate CAS Name: 3-(4-oxo-1H-quinazolin-2-yl)propanoic acid (6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 3-(4-oxo-1H-quinazolin-2-yl)propanoate Traditional Name: 3-(4-keto-1H-quinazolin-2-yl)propionic acid (6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C26H21BrN2O5 MolecularWeight: 521.35934

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)COC(=O)CCC4=NC(=O)C5=CC=CC=C5N4)Br

Isomeric SMILES

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)COC(=O)CCC4=NC(=O)C5=CC=CC=C5N4)Br

InChI

InChI=1S/C26H21BrN2O5/c27-19-12-17(24-18(13-19)15-33-26(34-24)16-6-2-1-3-7-16)14-32-23(30)11-10-22-28-21-9-5-4-8-20(21)25(31)29-22/h1-9,12-13,26H,10-11,14-15H2,(H,28,29,31)