(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(4-cyanophenyl)propanoate

Systemtic Name: (7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(4-cyanophenyl)propanoate Openeye Name: (7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(4-cyanophenyl)propanoate CAS Name: 3-(4-cyanophenyl)propanoic 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 3-(4-cyanophenyl)propanoate Traditional Name: 3-(4-cyanophenyl)propionic acid (4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C20H17N3O3 MolecularWeight: 347.36728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)COC(=O)CCC3=CC=C(C=C3)C#N)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)COC(=O)CCC3=CC=C(C=C3)C#N)C=C1

InChI

InChI=1S/C20H17N3O3/c1-14-2-8-18-22-17(10-19(24)23(18)12-14)13-26-20(25)9-7-15-3-5-16(11-21)6-4-15/h2-6,8,10,12H,7,9,13H2,1H3