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

Systemtic Name: (phenylmethyl) 5-oxidanylidene-3-(phenylmethyl)-3,4-dihydro-2H-chromeno[2,3-d]pyrimidin-3-ium-1-carboxylate Openeye Name: benzyl 3-benzyl-5-oxo-3,4-dihydro-2H-chromeno[2,3-d]pyrimidin-3-ium-1-carboxylate CAS Name: 5-oxo-3-(phenylmethyl)-3,4-dihydro-2H-[1]benzopyrano[2,3-d]pyrimidin-3-ium-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-benzyl-5-oxo-3,4-dihydro-2H-chromeno[2,3-d]pyrimidin-3-ium-1-carboxylate Traditional Name: 3-benzyl-5-keto-3,4-dihydro-2H-chromeno[2,3-d]pyrimidin-3-ium-1-carboxylic acid benzyl ester Formula: C26H23N2O4+ MolecularWeight: 427.47182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(N(C[NH+]1CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)OC5=CC=CC=C5C2=O

Isomeric SMILES

C1C2=C(N(C[NH+]1CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)OC5=CC=CC=C5C2=O

InChI

InChI=1S/C26H22N2O4/c29-24-21-13-7-8-14-23(21)32-25-22(24)16-27(15-19-9-3-1-4-10-19)18-28(25)26(30)31-17-20-11-5-2-6-12-20/h1-14H,15-18H2/p+1