ethyl 7-methyl-5-oxidanylidene-3-(phenylmethyl)-3,4-dihydro-2H-chromeno[2,3-d]pyrimidin-3-ium-1-carboxylate

Systemtic Name: ethyl 7-methyl-5-oxidanylidene-3-(phenylmethyl)-3,4-dihydro-2H-chromeno[2,3-d]pyrimidin-3-ium-1-carboxylate Openeye Name: ethyl 3-benzyl-7-methyl-5-oxo-3,4-dihydro-2H-chromeno[2,3-d]pyrimidin-3-ium-1-carboxylate CAS Name: 7-methyl-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-7-methyl-5-oxo-3,4-dihydro-2H-chromeno[2,3-d]pyrimidin-3-ium-1-carboxylate Traditional Name: 3-benzyl-5-keto-7-methyl-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=C(C2=O)C=C(C=C3)C)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1C[NH+](CC2=C1OC3=C(C2=O)C=C(C=C3)C)CC4=CC=CC=C4

InChI

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