(9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-oxidanylidene-4-(4-pentylphenyl)butanoate

Systemtic Name: (9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-oxidanylidene-4-(4-pentylphenyl)butanoate Openeye Name: (9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-oxo-4-(4-pentylphenyl)butanoate CAS Name: 4-oxo-4-(4-pentylphenyl)butanoic acid (9-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-oxo-4-(4-pentylphenyl)butanoate Traditional Name: 4-(4-amylphenyl)-4-keto-butyric acid (4-keto-9-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)CCC(=O)OCC2=CC(=O)N3C=CC=C(C3=N2)C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)CCC(=O)OCC2=CC(=O)N3C=CC=C(C3=N2)C

InChI

InChI=1S/C25H28N2O4/c1-3-4-5-8-19-9-11-20(12-10-19)22(28)13-14-24(30)31-17-21-16-23(29)27-15-6-7-18(2)25(27)26-21/h6-7,9-12,15-16H,3-5,8,13-14,17H2,1-2H3