9-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]-7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidine-3-carboxylic acid

Systemtic Name: 9-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]-7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidine-3-carboxylic acid Openeye Name: 9-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]-7-methyl-4-oxo-pyrido[1,2-a]pyrimidine-3-carboxylic acid CAS Name: 9-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-7-methyl-4-oxo-3-pyrido[1,2-a]pyrimidinecarboxylic acid IUPAC Name: 9-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid Traditional Name: 9-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]-4-keto-7-methyl-pyrido[1,2-a]pyrimidine-3-carboxylic 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)C(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O6/c1-4-5-16-18(7-6-15(13(3)25)19(16)26)30-11-14-8-12(2)10-24-20(14)23-9-17(21(24)27)22(28)29/h6-10,26H,4-5,11H2,1-3H3,(H,28,29)