diethyl 5-[(9-oxidanylidene-3-bicyclo[3.3.1]nonanyl)carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: diethyl 5-[(9-oxidanylidene-3-bicyclo[3.3.1]nonanyl)carbonylamino]benzene-1,3-dicarboxylate Openeye Name: diethyl 5-[(9-oxobicyclo[3.3.1]nonane-3-carbonyl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[[oxo-(9-oxo-3-bicyclo[3.3.1]nonanyl)methyl]amino]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(9-oxobicyclo[3.3.1]nonane-3-carbonyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(9-ketobicyclo[3.3.1]nonane-3-carbonyl)amino]benzene-1,3-dicarboxylic acid diethyl ester Formula: C22H27NO6 MolecularWeight: 401.45288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)NC(=O)C2CC3CCCC(C2)C3=O)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)NC(=O)C2CC3CCCC(C2)C3=O)C(=O)OCC

InChI

InChI=1S/C22H27NO6/c1-3-28-21(26)16-10-17(22(27)29-4-2)12-18(11-16)23-20(25)15-8-13-6-5-7-14(9-15)19(13)24/h10-15H,3-9H2,1-2H3,(H,23,25)