[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl] 9-oxidanylidenebicyclo[3.3.1]nonane-3-carboxylate

Systemtic Name: [2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl] 9-oxidanylidenebicyclo[3.3.1]nonane-3-carboxylate Openeye Name: [2-(2-ethylanilino)-2-oxo-ethyl] 9-oxobicyclo[3.3.1]nonane-3-carboxylate CAS Name: 9-oxo-3-bicyclo[3.3.1]nonanecarboxylic acid [2-(2-ethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethylanilino)-2-oxoethyl] 9-oxobicyclo[3.3.1]nonane-3-carboxylate Traditional Name: 9-ketobicyclo[3.3.1]nonane-3-carboxylic acid [2-(2-ethylanilino)-2-keto-ethyl] ester Formula: C20H25NO4 MolecularWeight: 343.4168

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)COC(=O)C2CC3CCCC(C2)C3=O

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)COC(=O)C2CC3CCCC(C2)C3=O

InChI

InChI=1S/C20H25NO4/c1-2-13-6-3-4-9-17(13)21-18(22)12-25-20(24)16-10-14-7-5-8-15(11-16)19(14)23/h3-4,6,9,14-16H,2,5,7-8,10-12H2,1H3,(H,21,22)