[1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 9-oxidanylidenebicyclo[3.3.1]nonane-3-carboxylate

Systemtic Name: [1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 9-oxidanylidenebicyclo[3.3.1]nonane-3-carboxylate Openeye Name: [2-(4-ethylanilino)-1-methyl-2-oxo-ethyl] 9-oxobicyclo[3.3.1]nonane-3-carboxylate CAS Name: 9-oxo-3-bicyclo[3.3.1]nonanecarboxylic acid [1-(4-ethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethylanilino)-1-oxopropan-2-yl] 9-oxobicyclo[3.3.1]nonane-3-carboxylate Traditional Name: 9-ketobicyclo[3.3.1]nonane-3-carboxylic acid [2-(4-ethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2CC3CCCC(C2)C3=O

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2CC3CCCC(C2)C3=O

InChI

InChI=1S/C21H27NO4/c1-3-14-7-9-18(10-8-14)22-20(24)13(2)26-21(25)17-11-15-5-4-6-16(12-17)19(15)23/h7-10,13,15-17H,3-6,11-12H2,1-2H3,(H,22,24)