(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-(4-hydroxyphenyl)benzoate

Systemtic Name: (7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-(4-hydroxyphenyl)benzoate Openeye Name: (7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-(4-hydroxyphenyl)benzoate CAS Name: 4-(4-hydroxyphenyl)benzoic acid (7-bromo-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(4-hydroxyphenyl)benzoate Traditional Name: 4-(4-hydroxyphenyl)benzoic acid (7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C22H15BrN2O4 MolecularWeight: 451.2695

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(C=C2)O)C(=O)OCC3=CC(=O)N4C=C(C=CC4=N3)Br

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)O)C(=O)OCC3=CC(=O)N4C=C(C=CC4=N3)Br

InChI

InChI=1S/C22H15BrN2O4/c23-17-7-10-20-24-18(11-21(27)25(20)12-17)13-29-22(28)16-3-1-14(2-4-16)15-5-8-19(26)9-6-15/h1-12,26H,13H2