(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-(4-cyano-2-methoxy-phenoxy)butanoate

Systemtic Name: (7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-(4-cyano-2-methoxy-phenoxy)butanoate Openeye Name: (7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-(4-cyano-2-methoxy-phenoxy)butanoate CAS Name: 4-(4-cyano-2-methoxyphenoxy)butanoic 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-(4-cyano-2-methoxyphenoxy)butanoate Traditional Name: 4-(4-cyano-2-methoxy-phenoxy)butyric acid (4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)COC(=O)CCCOC3=C(C=C(C=C3)C#N)OC)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)COC(=O)CCCOC3=C(C=C(C=C3)C#N)OC)C=C1

InChI

InChI=1S/C22H21N3O5/c1-15-5-8-20-24-17(11-21(26)25(20)13-15)14-30-22(27)4-3-9-29-18-7-6-16(12-23)10-19(18)28-2/h5-8,10-11,13H,3-4,9,14H2,1-2H3