1-adamantyl [4-[bis(2-bromoethyl)amino]-3-fluoranyl-phenyl] carbonate

Systemtic Name: 1-adamantyl [4-[bis(2-bromoethyl)amino]-3-fluoranyl-phenyl] carbonate Openeye Name: 1-adamantyl [4-[bis(2-bromoethyl)amino]-3-fluoro-phenyl] carbonate CAS Name: carbonic acid 1-adamantyl [4-[bis(2-bromoethyl)amino]-3-fluorophenyl] ester IUPAC Name: 1-adamantyl [4-[bis(2-bromoethyl)amino]-3-fluorophenyl] carbonate Traditional Name: carbonic acid 1-adamantyl [4-[bis(2-bromoethyl)amino]-3-fluoro-phenyl] ester Formula: C21H26Br2FNO3 MolecularWeight: 519.242443

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)OC(=O)OC4=CC(=C(C=C4)N(CCBr)CCBr)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)OC(=O)OC4=CC(=C(C=C4)N(CCBr)CCBr)F

InChI

InChI=1S/C21H26Br2FNO3/c22-3-5-25(6-4-23)19-2-1-17(10-18(19)24)27-20(26)28-21-11-14-7-15(12-21)9-16(8-14)13-21/h1-2,10,14-16H,3-9,11-13H2