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

Systemtic Name: 2-[9-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]ethanoic acid Openeye Name: 2-[9-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]acetic acid CAS Name: 2-[9-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-4-oxo-3-pyrido[1,2-a]pyrimidinyl]acetic acid IUPAC Name: 2-[9-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]acetic acid Traditional Name: 2-[9-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]-4-keto-pyrido[1,2-a]pyrimidin-3-yl]acetic acid Formula: C22H22N2O6 MolecularWeight: 410.41988

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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)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O6/c1-3-5-17-18(8-7-16(13(2)25)20(17)28)30-12-14-6-4-9-24-21(14)23-11-15(22(24)29)10-19(26)27/h4,6-9,11,28H,3,5,10,12H2,1-2H3,(H,26,27)