(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-(phenoxymethyl)-1-benzofuran-2-carboxylate

Systemtic Name: (7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-(phenoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: (7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-(phenoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(phenoxymethyl)-2-benzofurancarboxylic acid (7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-(phenoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(phenoxymethyl)coumarilic acid (4-keto-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C26H21N2O5+ MolecularWeight: 441.45534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)COC(=O)C3=C(C4=CC=CC=C4O3)COC5=CC=CC=C5

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)COC(=O)C3=C(C4=CC=CC=C4O3)COC5=CC=CC=C5

InChI

InChI=1S/C26H20N2O5/c1-17-11-12-23-27-18(13-24(29)28(23)14-17)15-32-26(30)25-21(16-31-19-7-3-2-4-8-19)20-9-5-6-10-22(20)33-25/h2-14H,15-16H2,1H3/p+1