(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl (2R)-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: (7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl (2R)-2-oxidanyl-2-phenyl-ethanoate Openeye Name: (7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl (2R)-2-hydroxy-2-phenyl-acetate CAS Name: (2R)-2-hydroxy-2-phenylacetic 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 (2R)-2-hydroxy-2-phenylacetate Traditional Name: (2R)-2-hydroxy-2-phenyl-acetic acid (7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C17H13BrN2O4 MolecularWeight: 389.20012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Br)O

Isomeric SMILES

C1=CC=C(C=C1)[C@H](C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Br)O

InChI

InChI=1S/C17H13BrN2O4/c18-12-6-7-14-19-13(8-15(21)20(14)9-12)10-24-17(23)16(22)11-4-2-1-3-5-11/h1-9,16,22H,10H2/t16-/m1/s1