(9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-(3-methylphenoxy)butanoate

Systemtic Name: (9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-(3-methylphenoxy)butanoate Openeye Name: (9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-(3-methylphenoxy)butanoate CAS Name: 4-(3-methylphenoxy)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-(3-methylphenoxy)butanoate Traditional Name: 4-(3-methylphenoxy)butyric acid (4-keto-9-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCC(=O)OCC2=CC(=O)N3C=CC=C(C3=N2)C

Isomeric SMILES

CC1=CC(=CC=C1)OCCCC(=O)OCC2=CC(=O)N3C=CC=C(C3=N2)C

InChI

InChI=1S/C21H22N2O4/c1-15-6-3-8-18(12-15)26-11-5-9-20(25)27-14-17-13-19(24)23-10-4-7-16(2)21(23)22-17/h3-4,6-8,10,12-13H,5,9,11,14H2,1-2H3