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

Systemtic Name: (9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3,4-diethoxybenzoate Openeye Name: (9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 3,4-diethoxybenzoate CAS Name: 3,4-diethoxybenzoic 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 3,4-diethoxybenzoate Traditional Name: 3,4-diethoxybenzoic 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:

CCOC1=C(C=C(C=C1)C(=O)OCC2=CC(=O)N3C=CC=C(C3=N2)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC2=CC(=O)N3C=CC=C(C3=N2)C)OCC

InChI

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