(6-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-(4-chloranyl-3-methyl-phenoxy)butanoate

Systemtic Name: (6-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-(4-chloranyl-3-methyl-phenoxy)butanoate Openeye Name: (6-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-(4-chloro-3-methyl-phenoxy)butanoate CAS Name: 4-(4-chloro-3-methylphenoxy)butanoic acid (6-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(4-chloro-3-methylphenoxy)butanoate Traditional Name: 4-(4-chloro-3-methyl-phenoxy)butyric acid (4-keto-6-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=NC(=CC(=O)N12)COC(=O)CCCOC3=CC(=C(C=C3)Cl)C

Isomeric SMILES

CC1=CC=CC2=NC(=CC(=O)N12)COC(=O)CCCOC3=CC(=C(C=C3)Cl)C

InChI

InChI=1S/C21H21ClN2O4/c1-14-11-17(8-9-18(14)22)27-10-4-7-21(26)28-13-16-12-20(25)24-15(2)5-3-6-19(24)23-16/h3,5-6,8-9,11-12H,4,7,10,13H2,1-2H3