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

Systemtic Name: 3-[7-(5-chloranyl-2-oxidanyl-phenyl)carbonyl-2-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]propanoic acid Openeye Name: 3-[7-(5-chloro-2-hydroxy-benzoyl)-2-methyl-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]propanoic acid CAS Name: 3-[7-[(5-chloro-2-hydroxyphenyl)-oxomethyl]-2-methyl-4-oxo-3-pyrido[1,2-a]pyrimidinyl]propanoic acid IUPAC Name: 3-[7-(5-chloro-2-hydroxybenzoyl)-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]propanoic acid Traditional Name: 3-[7-(5-chloro-2-hydroxy-benzoyl)-4-keto-2-methyl-pyrido[1,2-a]pyrimidin-3-yl]propionic acid Formula: C19H15ClN2O5 MolecularWeight: 386.7858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15ClN2O5/c1-10-13(4-7-17(24)25)19(27)22-9-11(2-6-16(22)21-10)18(26)14-8-12(20)3-5-15(14)23/h2-3,5-6,8-9,23H,4,7H2,1H3,(H,24,25)