3-[7-bromanyl-9-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]propanoic acid

Systemtic Name: 3-[7-bromanyl-9-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]propanoic acid Openeye Name: 3-[9-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]-7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]propanoic acid CAS Name: 3-[9-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-7-bromo-4-oxo-3-pyrido[1,2-a]pyrimidinyl]propanoic acid IUPAC Name: 3-[9-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-7-bromo-4-oxopyrido[1,2-a]pyrimidin-3-yl]propanoic acid Traditional Name: 3-[9-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]-7-bromo-4-keto-pyrido[1,2-a]pyrimidin-3-yl]propionic acid Formula: C23H23BrN2O6 MolecularWeight: 503.34252

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCC2=CC(=CN3C2=NC=C(C3=O)CCC(=O)O)Br

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC2=CC(=CN3C2=NC=C(C3=O)CCC(=O)O)Br

InChI

InChI=1S/C23H23BrN2O6/c1-3-4-18-19(7-6-17(13(2)27)21(18)30)32-12-15-9-16(24)11-26-22(15)25-10-14(23(26)31)5-8-20(28)29/h6-7,9-11,30H,3-5,8,12H2,1-2H3,(H,28,29)