(7-chloranyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-(2-methoxy-5-methyl-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: (7-chloranyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-(2-methoxy-5-methyl-phenyl)-4-oxidanylidene-butanoate Openeye Name: (7-chloro-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-(2-methoxy-5-methyl-phenyl)-4-oxo-butanoate CAS Name: 4-(2-methoxy-5-methylphenyl)-4-oxobutanoic acid (7-chloro-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(2-methoxy-5-methylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-(2-methoxy-5-methyl-phenyl)butyric acid (7-chloro-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C21H19ClN2O5 MolecularWeight: 414.83896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C(=O)CCC(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C(=O)CCC(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Cl

InChI

InChI=1S/C21H19ClN2O5/c1-13-3-6-18(28-2)16(9-13)17(25)5-8-21(27)29-12-15-10-20(26)24-11-14(22)4-7-19(24)23-15/h3-4,6-7,9-11H,5,8,12H2,1-2H3