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

Systemtic Name: (7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl (3S)-3-phenylbutanoate Openeye Name: (7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl (3S)-3-phenylbutanoate CAS Name: (3S)-3-phenylbutanoic 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 (3S)-3-phenylbutanoate Traditional Name: (3S)-3-phenylbutyric acid (4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)COC(=O)C[C@H](C)C3=CC=CC=C3)C=C1

InChI

InChI=1S/C20H20N2O3/c1-14-8-9-18-21-17(11-19(23)22(18)12-14)13-25-20(24)10-15(2)16-6-4-3-5-7-16/h3-9,11-12,15H,10,13H2,1-2H3/t15-/m0/s1