methyl 4-[2-(3-bromanyl-1-adamantyl)ethanoyloxy]benzoate

Systemtic Name: methyl 4-[2-(3-bromanyl-1-adamantyl)ethanoyloxy]benzoate Openeye Name: methyl 4-[2-(3-bromo-1-adamantyl)acetyl]oxybenzoate CAS Name: 4-[2-(3-bromo-1-adamantyl)-1-oxoethoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(3-bromo-1-adamantyl)acetyl]oxybenzoate Traditional Name: 4-[2-(3-bromo-1-adamantyl)acetyl]oxybenzoic acid methyl ester Formula: C20H23BrO4 MolecularWeight: 407.29822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23BrO4/c1-24-18(23)15-2-4-16(5-3-15)25-17(22)11-19-7-13-6-14(8-19)10-20(21,9-13)12-19/h2-5,13-14H,6-12H2,1H3