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

Systemtic Name: (7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl (3R)-3-phenylbutanoate Openeye Name: (7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl (3R)-3-phenylbutanoate CAS Name: (3R)-3-phenylbutanoic 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 (3R)-3-phenylbutanoate Traditional Name: (3R)-3-phenylbutyric acid (7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C19H17BrN2O3 MolecularWeight: 401.25388

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OCC1=CC(=O)N2C=C(C=CC2=N1)Br)C3=CC=CC=C3

Isomeric SMILES

C[C@H](CC(=O)OCC1=CC(=O)N2C=C(C=CC2=N1)Br)C3=CC=CC=C3

InChI

InChI=1S/C19H17BrN2O3/c1-13(14-5-3-2-4-6-14)9-19(24)25-12-16-10-18(23)22-11-15(20)7-8-17(22)21-16/h2-8,10-11,13H,9,12H2,1H3/t13-/m1/s1