(phenylmethyl) 3-(2-hydroxyethyl)-5-oxidanylidene-3,4-dihydro-2H-chromeno[2,3-d]pyrimidin-3-ium-1-carboxylate

Systemtic Name: (phenylmethyl) 3-(2-hydroxyethyl)-5-oxidanylidene-3,4-dihydro-2H-chromeno[2,3-d]pyrimidin-3-ium-1-carboxylate Openeye Name: benzyl 3-(2-hydroxyethyl)-5-oxo-3,4-dihydro-2H-chromeno[2,3-d]pyrimidin-3-ium-1-carboxylate CAS Name: 3-(2-hydroxyethyl)-5-oxo-3,4-dihydro-2H-[1]benzopyrano[2,3-d]pyrimidin-3-ium-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(2-hydroxyethyl)-5-oxo-3,4-dihydro-2H-chromeno[2,3-d]pyrimidin-3-ium-1-carboxylate Traditional Name: 3-(2-hydroxyethyl)-5-keto-3,4-dihydro-2H-chromeno[2,3-d]pyrimidin-3-ium-1-carboxylic acid benzyl ester Formula: C21H21N2O5+ MolecularWeight: 381.40184

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(N(C[NH+]1CCO)C(=O)OCC3=CC=CC=C3)OC4=CC=CC=C4C2=O

Isomeric SMILES

C1C2=C(N(C[NH+]1CCO)C(=O)OCC3=CC=CC=C3)OC4=CC=CC=C4C2=O

InChI

InChI=1S/C21H20N2O5/c24-11-10-22-12-17-19(25)16-8-4-5-9-18(16)28-20(17)23(14-22)21(26)27-13-15-6-2-1-3-7-15/h1-9,24H,10-14H2/p+1