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

Systemtic Name: (7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-(3,4-dimethoxyphenyl)ethanoate Openeye Name: (7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-(3,4-dimethoxyphenyl)acetate CAS Name: 2-(3,4-dimethoxyphenyl)acetic 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 2-(3,4-dimethoxyphenyl)acetate Traditional Name: 2-(3,4-dimethoxyphenyl)acetic acid (7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C19H17BrN2O5 MolecularWeight: 433.25268

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Br)OC

InChI

InChI=1S/C19H17BrN2O5/c1-25-15-5-3-12(7-16(15)26-2)8-19(24)27-11-14-9-18(23)22-10-13(20)4-6-17(22)21-14/h3-7,9-10H,8,11H2,1-2H3