1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 9-oxidanylidenebicyclo[3.3.1]nonane-3-carboxylate

Systemtic Name: 1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 9-oxidanylidenebicyclo[3.3.1]nonane-3-carboxylate Openeye Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 9-oxobicyclo[3.3.1]nonane-3-carboxylate CAS Name: 9-oxo-3-bicyclo[3.3.1]nonanecarboxylic acid 1-(4-oxo-1H-quinazolin-2-yl)ethyl ester IUPAC Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 9-oxobicyclo[3.3.1]nonane-3-carboxylate Traditional Name: 9-ketobicyclo[3.3.1]nonane-3-carboxylic acid 1-(4-keto-1H-quinazolin-2-yl)ethyl ester Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3CC4CCCC(C3)C4=O

Isomeric SMILES

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3CC4CCCC(C3)C4=O

InChI

InChI=1S/C20H22N2O4/c1-11(18-21-16-8-3-2-7-15(16)19(24)22-18)26-20(25)14-9-12-5-4-6-13(10-14)17(12)23/h2-3,7-8,11-14H,4-6,9-10H2,1H3,(H,21,22,24)