(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-phenoxybutanoate

Systemtic Name: (7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-phenoxybutanoate Openeye Name: (7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-phenoxybutanoate CAS Name: 4-phenoxybutanoic acid (7-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-phenoxybutanoate Traditional Name: 4-phenoxybutyric acid (4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C20H20N2O4 MolecularWeight: 352.3838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)COC(=O)CCCOC3=CC=CC=C3)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)COC(=O)CCCOC3=CC=CC=C3)C=C1

InChI

InChI=1S/C20H20N2O4/c1-15-9-10-18-21-16(12-19(23)22(18)13-15)14-26-20(24)8-5-11-25-17-6-3-2-4-7-17/h2-4,6-7,9-10,12-13H,5,8,11,14H2,1H3