(7-chloranyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-bromanyl-5-methoxy-4-propoxy-benzoate

Systemtic Name: (7-chloranyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-bromanyl-5-methoxy-4-propoxy-benzoate Openeye Name: (7-chloro-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-bromo-5-methoxy-4-propoxy-benzoate CAS Name: 3-bromo-5-methoxy-4-propoxybenzoic acid (7-chloro-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-bromo-5-methoxy-4-propoxybenzoate Traditional Name: 3-bromo-5-methoxy-4-propoxy-benzoic acid (7-chloro-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C20H18BrClN2O5 MolecularWeight: 481.72432

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Cl)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Cl)OC

InChI

InChI=1S/C20H18BrClN2O5/c1-3-6-28-19-15(21)7-12(8-16(19)27-2)20(26)29-11-14-9-18(25)24-10-13(22)4-5-17(24)23-14/h4-5,7-10H,3,6,11H2,1-2H3