methyl 2-[3-(4-fluorophenyl)propanoyloxymethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[3-(4-fluorophenyl)propanoyloxymethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[3-(4-fluorophenyl)propanoyloxymethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[3-(4-fluorophenyl)-1-oxopropoxy]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-(4-fluorophenyl)propanoyloxymethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[3-(4-fluorophenyl)propanoyloxymethyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C20H17FN2O5 MolecularWeight: 384.357783

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)COC(=O)CCC3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)COC(=O)CCC3=CC=C(C=C3)F

InChI

InChI=1S/C20H17FN2O5/c1-27-20(26)13-5-8-15-16(10-13)22-17(23-19(15)25)11-28-18(24)9-4-12-2-6-14(21)7-3-12/h2-3,5-8,10H,4,9,11H2,1H3,(H,22,23,25)