(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(3,5-dimethoxyphenyl)propanoate

Systemtic Name: (7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(3,5-dimethoxyphenyl)propanoate Openeye Name: (7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(3,5-dimethoxyphenyl)propanoate CAS Name: 3-(3,5-dimethoxyphenyl)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-(3,5-dimethoxyphenyl)propanoate Traditional Name: 3-(3,5-dimethoxyphenyl)propionic acid (4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5/c1-14-4-6-19-22-16(10-20(24)23(19)12-14)13-28-21(25)7-5-15-8-17(26-2)11-18(9-15)27-3/h4,6,8-12H,5,7,13H2,1-3H3