[(2R)-1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl] 2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanoate

Systemtic Name: [(2R)-1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl] 2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanoate Openeye Name: [(1R)-2-(4-bromophenyl)-1-methyl-2-oxo-ethyl] 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetate CAS Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetic acid [(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl] 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetate Traditional Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetic acid [(1R)-2-(4-bromophenyl)-2-keto-1-methyl-ethyl] ester Formula: C21H25BrO4 MolecularWeight: 421.3248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)Br)OC(=O)CC23CC4CC(C2)CC(C4)(C3)O

Isomeric SMILES

C[C@H](C(=O)C1=CC=C(C=C1)Br)OC(=O)CC23C[C@H]4C[C@@H](C2)CC(C4)(C3)O

InChI

InChI=1S/C21H25BrO4/c1-13(19(24)16-2-4-17(22)5-3-16)26-18(23)11-20-7-14-6-15(8-20)10-21(25,9-14)12-20/h2-5,13-15,25H,6-12H2,1H3/t13-,14-,15+,20?,21?/m1/s1