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

Systemtic Name: (7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(3,4-dimethoxyphenyl)propanoate Openeye Name: (7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(3,4-dimethoxyphenyl)propanoate CAS Name: 3-(3,4-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-(3,4-dimethoxyphenyl)propanoate Traditional Name: 3-(3,4-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(=C(C=C3)OC)OC)C=C1

Isomeric SMILES

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

InChI

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