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

Systemtic Name: [1-[(4-tert-butylphenyl)amino]-1-oxidanylidene-propan-2-yl] 9-oxidanylidenebicyclo[3.3.1]nonane-3-carboxylate Openeye Name: [2-(4-tert-butylanilino)-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-tert-butylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-tert-butylanilino)-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-tert-butylanilino)-2-keto-1-methyl-ethyl] ester Formula: C23H31NO4 MolecularWeight: 385.49654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(C)(C)C)OC(=O)C2CC3CCCC(C2)C3=O

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(C)(C)C)OC(=O)C2CC3CCCC(C2)C3=O

InChI

InChI=1S/C23H31NO4/c1-14(21(26)24-19-10-8-18(9-11-19)23(2,3)4)28-22(27)17-12-15-6-5-7-16(13-17)20(15)25/h8-11,14-17H,5-7,12-13H2,1-4H3,(H,24,26)