3-[7-(5-methoxy-2-oxidanyl-phenyl)carbonyl-2-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]propanoic acid

Systemtic Name: 3-[7-(5-methoxy-2-oxidanyl-phenyl)carbonyl-2-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]propanoic acid Openeye Name: 3-[7-(2-hydroxy-5-methoxy-benzoyl)-2-methyl-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]propanoic acid CAS Name: 3-[7-[(2-hydroxy-5-methoxyphenyl)-oxomethyl]-2-methyl-4-oxo-3-pyrido[1,2-a]pyrimidinyl]propanoic acid IUPAC Name: 3-[7-(2-hydroxy-5-methoxybenzoyl)-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]propanoic acid Traditional Name: 3-[7-(2-hydroxy-5-methoxy-benzoyl)-4-keto-2-methyl-pyrido[1,2-a]pyrimidin-3-yl]propionic acid Formula: C20H18N2O6 MolecularWeight: 382.36672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N2C=C(C=CC2=N1)C(=O)C3=C(C=CC(=C3)OC)O)CCC(=O)O

Isomeric SMILES

CC1=C(C(=O)N2C=C(C=CC2=N1)C(=O)C3=C(C=CC(=C3)OC)O)CCC(=O)O

InChI

InChI=1S/C20H18N2O6/c1-11-14(5-8-18(24)25)20(27)22-10-12(3-7-17(22)21-11)19(26)15-9-13(28-2)4-6-16(15)23/h3-4,6-7,9-10,23H,5,8H2,1-2H3,(H,24,25)