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

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 3-(2-fluoranyl-4-methoxy-phenyl)adamantane-1-carboxylate Openeye Name: [2-(isopropylcarbamoylamino)-2-oxo-ethyl] 3-(2-fluoro-4-methoxy-phenyl)adamantane-1-carboxylate CAS Name: 3-(2-fluoro-4-methoxyphenyl)-1-adamantanecarboxylic acid [2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(2-fluoro-4-methoxyphenyl)adamantane-1-carboxylate Traditional Name: 3-(2-fluoro-4-methoxy-phenyl)adamantane-1-carboxylic acid [2-(isopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C24H31FN2O5 MolecularWeight: 446.511743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31FN2O5/c1-14(2)26-22(30)27-20(28)12-32-21(29)24-10-15-6-16(11-24)9-23(8-15,13-24)18-5-4-17(31-3)7-19(18)25/h4-5,7,14-16H,6,8-13H2,1-3H3,(H2,26,27,28,30)