quinazolin-4-yl 1,7,7-trimethyl-2-oxidanylidene-3-oxabicyclo[2.2.1]heptane-4-carboxylate

Systemtic Name: quinazolin-4-yl 1,7,7-trimethyl-2-oxidanylidene-3-oxabicyclo[2.2.1]heptane-4-carboxylate Openeye Name: quinazolin-4-yl 1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylate CAS Name: 1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylic acid 4-quinazolinyl ester IUPAC Name: quinazolin-4-yl 1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylate Traditional Name: 2-keto-1,7,7-trimethyl-3-oxabicyclo[2.2.1]heptane-4-carboxylic acid quinazolin-4-yl ester Formula: C18H18N2O4 MolecularWeight: 326.34652

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2(CCC1(OC2=O)C(=O)OC3=NC=NC4=CC=CC=C43)C)C

Isomeric SMILES

CC1(C2(CCC1(OC2=O)C(=O)OC3=NC=NC4=CC=CC=C43)C)C

InChI

InChI=1S/C18H18N2O4/c1-16(2)17(3)8-9-18(16,24-14(17)21)15(22)23-13-11-6-4-5-7-12(11)19-10-20-13/h4-7,10H,8-9H2,1-3H3