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

Systemtic Name: (7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-(3,4-dimethylphenyl)ethanoate Openeye Name: (7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-(3,4-dimethylphenyl)acetate CAS Name: 2-(3,4-dimethylphenyl)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-dimethylphenyl)acetate Traditional Name: 2-(3,4-dimethylphenyl)acetic 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:

CC1=C(C=C(C=C1)CC(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)CC(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Br)C

InChI

InChI=1S/C19H17BrN2O3/c1-12-3-4-14(7-13(12)2)8-19(24)25-11-16-9-18(23)22-10-15(20)5-6-17(22)21-16/h3-7,9-10H,8,11H2,1-2H3