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

Systemtic Name: (9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(3,4-dimethoxyphenyl)propanoate Openeye Name: (9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(3,4-dimethoxyphenyl)propanoate CAS Name: 3-(3,4-dimethoxyphenyl)propanoic acid (9-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (9-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-9-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=CC=CN2C1=NC(=CC2=O)COC(=O)CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC=CN2C1=NC(=CC2=O)COC(=O)CCC3=CC(=C(C=C3)OC)OC

InChI

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