methyl 5-[4-(2-ethyl-4-oxidanylidene-quinazolin-3-yl)butyl]-2-methyl-1,3-dioxane-2-carboxylate

Systemtic Name: methyl 5-[4-(2-ethyl-4-oxidanylidene-quinazolin-3-yl)butyl]-2-methyl-1,3-dioxane-2-carboxylate Openeye Name: methyl 5-[4-(2-ethyl-4-oxo-quinazolin-3-yl)butyl]-2-methyl-1,3-dioxane-2-carboxylate CAS Name: 5-[4-(2-ethyl-4-oxo-3-quinazolinyl)butyl]-2-methyl-1,3-dioxane-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[4-(2-ethyl-4-oxoquinazolin-3-yl)butyl]-2-methyl-1,3-dioxane-2-carboxylate Traditional Name: 5-[4-(2-ethyl-4-keto-quinazolin-3-yl)butyl]-2-methyl-1,3-dioxane-2-carboxylic acid methyl ester Formula: C21H28N2O5 MolecularWeight: 388.45742

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=O)N1CCCCC3COC(OC3)(C)C(=O)OC

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=O)N1CCCCC3COC(OC3)(C)C(=O)OC

InChI

InChI=1S/C21H28N2O5/c1-4-18-22-17-11-6-5-10-16(17)19(24)23(18)12-8-7-9-15-13-27-21(2,28-14-15)20(25)26-3/h5-6,10-11,15H,4,7-9,12-14H2,1-3H3