(8-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: (8-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: (8-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 5-bromo-3-methyl-benzofuran-2-carboxylate CAS Name: 5-bromo-3-methyl-2-benzofurancarboxylic acid (8-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-bromo-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-methyl-coumarilic acid (4-keto-8-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C20H15BrN2O4 MolecularWeight: 427.2481

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=CC(=O)N2C=C1)COC(=O)C3=C(C4=C(O3)C=CC(=C4)Br)C

Isomeric SMILES

CC1=CC2=NC(=CC(=O)N2C=C1)COC(=O)C3=C(C4=C(O3)C=CC(=C4)Br)C

InChI

InChI=1S/C20H15BrN2O4/c1-11-5-6-23-17(7-11)22-14(9-18(23)24)10-26-20(25)19-12(2)15-8-13(21)3-4-16(15)27-19/h3-9H,10H2,1-2H3