[2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] 9-oxidanylidenebicyclo[3.3.1]nonane-3-carboxylate

Systemtic Name: [2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] 9-oxidanylidenebicyclo[3.3.1]nonane-3-carboxylate Openeye Name: [2-(4-tert-butylanilino)-2-oxo-ethyl] 9-oxobicyclo[3.3.1]nonane-3-carboxylate CAS Name: 9-oxo-3-bicyclo[3.3.1]nonanecarboxylic acid [2-(4-tert-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-tert-butylanilino)-2-oxoethyl] 9-oxobicyclo[3.3.1]nonane-3-carboxylate Traditional Name: 9-ketobicyclo[3.3.1]nonane-3-carboxylic acid [2-(4-tert-butylanilino)-2-keto-ethyl] ester Formula: C22H29NO4 MolecularWeight: 371.46996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)COC(=O)C2CC3CCCC(C2)C3=O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)COC(=O)C2CC3CCCC(C2)C3=O

InChI

InChI=1S/C22H29NO4/c1-22(2,3)17-7-9-18(10-8-17)23-19(24)13-27-21(26)16-11-14-5-4-6-15(12-16)20(14)25/h7-10,14-16H,4-6,11-13H2,1-3H3,(H,23,24)