[2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl] 9-oxidanylidenebicyclo[3.3.1]nonane-3-carboxylate

Systemtic Name: [2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl] 9-oxidanylidenebicyclo[3.3.1]nonane-3-carboxylate Openeye Name: [2-(2-isopropyl-6-methyl-anilino)-2-oxo-ethyl] 9-oxobicyclo[3.3.1]nonane-3-carboxylate CAS Name: 9-oxo-3-bicyclo[3.3.1]nonanecarboxylic acid [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 9-oxobicyclo[3.3.1]nonane-3-carboxylate Traditional Name: 9-ketobicyclo[3.3.1]nonane-3-carboxylic acid [2-(2-isopropyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C22H29NO4 MolecularWeight: 371.46996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)COC(=O)C2CC3CCCC(C2)C3=O

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)COC(=O)C2CC3CCCC(C2)C3=O

InChI

InChI=1S/C22H29NO4/c1-13(2)18-9-4-6-14(3)20(18)23-19(24)12-27-22(26)17-10-15-7-5-8-16(11-17)21(15)25/h4,6,9,13,15-17H,5,7-8,10-12H2,1-3H3,(H,23,24)