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

Systemtic Name: 1-adamantyl [4-[bis(2-bromoethyl)amino]phenyl] carbonate Openeye Name: 1-adamantyl [4-[bis(2-bromoethyl)amino]phenyl] carbonate CAS Name: carbonic acid 1-adamantyl [4-[bis(2-bromoethyl)amino]phenyl] ester IUPAC Name: 1-adamantyl [4-[bis(2-bromoethyl)amino]phenyl] carbonate Traditional Name: carbonic acid 1-adamantyl [4-[bis(2-bromoethyl)amino]phenyl] ester Formula: C21H27Br2NO3 MolecularWeight: 501.25198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27Br2NO3/c22-5-7-24(8-6-23)18-1-3-19(4-2-18)26-20(25)27-21-12-15-9-16(13-21)11-17(10-15)14-21/h1-4,15-17H,5-14H2