[2-(tert-butylamino)-2-oxidanylidene-ethyl] 3-(2-fluoranyl-4-methoxy-phenyl)adamantane-1-carboxylate

Systemtic Name: [2-(tert-butylamino)-2-oxidanylidene-ethyl] 3-(2-fluoranyl-4-methoxy-phenyl)adamantane-1-carboxylate Openeye Name: [2-(tert-butylamino)-2-oxo-ethyl] 3-(2-fluoro-4-methoxy-phenyl)adamantane-1-carboxylate CAS Name: 3-(2-fluoro-4-methoxyphenyl)-1-adamantanecarboxylic acid [2-(tert-butylamino)-2-oxoethyl] ester IUPAC Name: [2-(tert-butylamino)-2-oxoethyl] 3-(2-fluoro-4-methoxyphenyl)adamantane-1-carboxylate Traditional Name: 3-(2-fluoro-4-methoxy-phenyl)adamantane-1-carboxylic acid [2-(tert-butylamino)-2-keto-ethyl] ester Formula: C24H32FNO4 MolecularWeight: 417.513583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)COC(=O)C12CC3CC(C1)CC(C3)(C2)C4=C(C=C(C=C4)OC)F

Isomeric SMILES

CC(C)(C)NC(=O)COC(=O)C12CC3CC(C1)CC(C3)(C2)C4=C(C=C(C=C4)OC)F

InChI

InChI=1S/C24H32FNO4/c1-22(2,3)26-20(27)13-30-21(28)24-11-15-7-16(12-24)10-23(9-15,14-24)18-6-5-17(29-4)8-19(18)25/h5-6,8,15-16H,7,9-14H2,1-4H3,(H,26,27)