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

Systemtic Name: (7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-(2-methylpropoxy)benzoate Openeye Name: (7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-isobutoxybenzoate CAS Name: 4-(2-methylpropoxy)benzoic 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 4-(2-methylpropoxy)benzoate Traditional Name: 4-isobutoxybenzoic acid (7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C20H19BrN2O4 MolecularWeight: 431.27986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrN2O4/c1-13(2)11-26-17-6-3-14(4-7-17)20(25)27-12-16-9-19(24)23-10-15(21)5-8-18(23)22-16/h3-10,13H,11-12H2,1-2H3