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

Systemtic Name: ethyl 5-oxidanylidene-3-(1-phenylethyl)-3,4-dihydro-2H-chromeno[2,3-d]pyrimidin-3-ium-1-carboxylate Openeye Name: ethyl 5-oxo-3-(1-phenylethyl)-3,4-dihydro-2H-chromeno[2,3-d]pyrimidin-3-ium-1-carboxylate CAS Name: 5-oxo-3-(1-phenylethyl)-3,4-dihydro-2H-[1]benzopyrano[2,3-d]pyrimidin-3-ium-1-carboxylic acid ethyl ester IUPAC Name: ethyl 5-oxo-3-(1-phenylethyl)-3,4-dihydro-2H-chromeno[2,3-d]pyrimidin-3-ium-1-carboxylate Traditional Name: 5-keto-3-(1-phenylethyl)-3,4-dihydro-2H-chromeno[2,3-d]pyrimidin-3-ium-1-carboxylic acid ethyl ester Formula: C22H23N2O4+ MolecularWeight: 379.42902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O4/c1-3-27-22(26)24-14-23(15(2)16-9-5-4-6-10-16)13-18-20(25)17-11-7-8-12-19(17)28-21(18)24/h4-12,15H,3,13-14H2,1-2H3/p+1