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

Systemtic Name: (6-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3,4-dipropoxybenzoate Openeye Name: (6-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 3,4-dipropoxybenzoate CAS Name: 3,4-dipropoxybenzoic acid (6-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3,4-dipropoxybenzoate Traditional Name: 3,4-dipropoxybenzoic acid (4-keto-6-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C23H26N2O5 MolecularWeight: 410.46294

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)OCC2=CC(=O)N3C(=CC=CC3=N2)C)OCCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)OCC2=CC(=O)N3C(=CC=CC3=N2)C)OCCC

InChI

InChI=1S/C23H26N2O5/c1-4-11-28-19-10-9-17(13-20(19)29-12-5-2)23(27)30-15-18-14-22(26)25-16(3)7-6-8-21(25)24-18/h6-10,13-14H,4-5,11-12,15H2,1-3H3