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

Systemtic Name: (phenylmethyl) 5-oxidanylidene-3-phenethyl-3,4-dihydro-2H-chromeno[2,3-d]pyrimidin-3-ium-1-carboxylate Openeye Name: benzyl 5-oxo-3-phenethyl-3,4-dihydro-2H-chromeno[2,3-d]pyrimidin-3-ium-1-carboxylate CAS Name: 5-oxo-3-phenethyl-3,4-dihydro-2H-[1]benzopyrano[2,3-d]pyrimidin-3-ium-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-oxo-3-phenethyl-3,4-dihydro-2H-chromeno[2,3-d]pyrimidin-3-ium-1-carboxylate Traditional Name: 5-keto-3-phenethyl-3,4-dihydro-2H-chromeno[2,3-d]pyrimidin-3-ium-1-carboxylic acid benzyl ester Formula: C27H25N2O4+ MolecularWeight: 441.4984

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(N(C[NH+]1CCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)OC5=CC=CC=C5C2=O

Isomeric SMILES

C1C2=C(N(C[NH+]1CCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)OC5=CC=CC=C5C2=O

InChI

InChI=1S/C27H24N2O4/c30-25-22-13-7-8-14-24(22)33-26-23(25)17-28(16-15-20-9-3-1-4-10-20)19-29(26)27(31)32-18-21-11-5-2-6-12-21/h1-14H,15-19H2/p+1