8-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]-4-oxidanylidene-pyrido[1,2-a]pyrimidine-3-carboxylic acid

Systemtic Name: 8-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]-4-oxidanylidene-pyrido[1,2-a]pyrimidine-3-carboxylic acid Openeye Name: 8-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]-4-oxo-pyrido[1,2-a]pyrimidine-3-carboxylic acid CAS Name: 8-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-4-oxo-3-pyrido[1,2-a]pyrimidinecarboxylic acid IUPAC Name: 8-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid Traditional Name: 8-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]-4-keto-pyrido[1,2-a]pyrimidine-3-carboxylic acid Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCC2=CC3=NC=C(C(=O)N3C=C2)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC2=CC3=NC=C(C(=O)N3C=C2)C(=O)O

InChI

InChI=1S/C21H20N2O6/c1-3-4-15-17(6-5-14(12(2)24)19(15)25)29-11-13-7-8-23-18(9-13)22-10-16(20(23)26)21(27)28/h5-10,25H,3-4,11H2,1-2H3,(H,27,28)