(9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-bromanyl-4-methoxy-benzoate

Systemtic Name: (9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-bromanyl-4-methoxy-benzoate Openeye Name: (9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-bromo-4-methoxy-benzoate CAS Name: 3-bromo-4-methoxybenzoic acid (9-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-bromo-4-methoxybenzoate Traditional Name: 3-bromo-4-methoxy-benzoic acid (4-keto-9-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C18H15BrN2O4 MolecularWeight: 403.2267

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=NC(=CC2=O)COC(=O)C3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CC1=CC=CN2C1=NC(=CC2=O)COC(=O)C3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C18H15BrN2O4/c1-11-4-3-7-21-16(22)9-13(20-17(11)21)10-25-18(23)12-5-6-15(24-2)14(19)8-12/h3-9H,10H2,1-2H3