(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-phenoxybenzoate

Systemtic Name: (7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-phenoxybenzoate Openeye Name: (7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-phenoxybenzoate CAS Name: 3-phenoxybenzoic 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 3-phenoxybenzoate Traditional Name: 3-phenoxybenzoic 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=C(C=C1)OC2=CC=CC(=C2)C(=O)OCC3=CC(=O)N4C=C(C=CC4=N3)Br

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2)C(=O)OCC3=CC(=O)N4C=C(C=CC4=N3)Br

InChI

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