(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 1-(4-fluorophenyl)cyclobutane-1-carboxylate

Systemtic Name: (8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 1-(4-fluorophenyl)cyclobutane-1-carboxylate Openeye Name: (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl 1-(4-fluorophenyl)cyclobutanecarboxylate CAS Name: 1-(4-fluorophenyl)-1-cyclobutanecarboxylic acid (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl 1-(4-fluorophenyl)cyclobutane-1-carboxylate Traditional Name: 1-(4-fluorophenyl)cyclobutanecarboxylic acid (4-keto-8-methyl-1H-quinazolin-2-yl)methyl ester Formula: C21H19FN2O3 MolecularWeight: 366.385563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)COC(=O)C3(CCC3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)COC(=O)C3(CCC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H19FN2O3/c1-13-4-2-5-16-18(13)23-17(24-19(16)25)12-27-20(26)21(10-3-11-21)14-6-8-15(22)9-7-14/h2,4-9H,3,10-12H2,1H3,(H,23,24,25)