[(2R)-1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-[(5S,7R)-3-bromanyl-1-adamantyl]ethanoate

Systemtic Name: [(2R)-1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-[(5S,7R)-3-bromanyl-1-adamantyl]ethanoate Openeye Name: [(1R)-2-(2-furylmethylamino)-1-methyl-2-oxo-ethyl] 2-[(5S,7R)-3-bromo-1-adamantyl]acetate CAS Name: 2-[(5S,7R)-3-bromo-1-adamantyl]acetic acid [(2R)-1-(2-furanylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-[(5S,7R)-3-bromo-1-adamantyl]acetate Traditional Name: 2-[(5S,7R)-3-bromo-1-adamantyl]acetic acid [(1R)-2-(2-furfurylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H26BrNO4 MolecularWeight: 424.32874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CO1)OC(=O)CC23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=CO1)OC(=O)CC23C[C@H]4C[C@@H](C2)CC(C4)(C3)Br

InChI

InChI=1S/C20H26BrNO4/c1-13(18(24)22-11-16-3-2-4-25-16)26-17(23)10-19-6-14-5-15(7-19)9-20(21,8-14)12-19/h2-4,13-15H,5-12H2,1H3,(H,22,24)/t13-,14-,15+,19?,20?/m1/s1