(2-chloranyl-7-methoxy-quinolin-3-yl)methyl 9-oxidanylidenebicyclo[3.3.1]nonane-3-carboxylate

Systemtic Name: (2-chloranyl-7-methoxy-quinolin-3-yl)methyl 9-oxidanylidenebicyclo[3.3.1]nonane-3-carboxylate Openeye Name: (2-chloro-7-methoxy-3-quinolyl)methyl 9-oxobicyclo[3.3.1]nonane-3-carboxylate CAS Name: 9-oxo-3-bicyclo[3.3.1]nonanecarboxylic acid (2-chloro-7-methoxy-3-quinolinyl)methyl ester IUPAC Name: (2-chloro-7-methoxyquinolin-3-yl)methyl 9-oxobicyclo[3.3.1]nonane-3-carboxylate Traditional Name: 9-ketobicyclo[3.3.1]nonane-3-carboxylic acid (2-chloro-7-methoxy-3-quinolyl)methyl ester Formula: C21H22ClNO4 MolecularWeight: 387.85668

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC(=C(C=C2C=C1)COC(=O)C3CC4CCCC(C3)C4=O)Cl

Isomeric SMILES

COC1=CC2=NC(=C(C=C2C=C1)COC(=O)C3CC4CCCC(C3)C4=O)Cl

InChI

InChI=1S/C21H22ClNO4/c1-26-17-6-5-12-7-16(20(22)23-18(12)10-17)11-27-21(25)15-8-13-3-2-4-14(9-15)19(13)24/h5-7,10,13-15H,2-4,8-9,11H2,1H3