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

Systemtic Name: ethyl 5-oxidanylidene-3-(phenylmethyl)-3,4-dihydro-2H-chromeno[2,3-d]pyrimidin-3-ium-1-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H21N2O4+ MolecularWeight: 365.40244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C[NH+](CC2=C1OC3=CC=CC=C3C2=O)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1C[NH+](CC2=C1OC3=CC=CC=C3C2=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H20N2O4/c1-2-26-21(25)23-14-22(12-15-8-4-3-5-9-15)13-17-19(24)16-10-6-7-11-18(16)27-20(17)23/h3-11H,2,12-14H2,1H3/p+1