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

Systemtic Name: (7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3,4-diethoxybenzoate Openeye Name: (7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 3,4-diethoxybenzoate CAS Name: 3,4-diethoxybenzoic 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-diethoxybenzoate Traditional Name: 3,4-diethoxybenzoic 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:

CCOC1=C(C=C(C=C1)C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)C)OCC

InChI

InChI=1S/C21H22N2O5/c1-4-26-17-8-7-15(10-18(17)27-5-2)21(25)28-13-16-11-20(24)23-12-14(3)6-9-19(23)22-16/h6-12H,4-5,13H2,1-3H3