(4-cyano-2-methoxy-phenyl) 2-(3-bromanyl-1-adamantyl)ethanoate

Systemtic Name: (4-cyano-2-methoxy-phenyl) 2-(3-bromanyl-1-adamantyl)ethanoate Openeye Name: (4-cyano-2-methoxy-phenyl) 2-(3-bromo-1-adamantyl)acetate CAS Name: 2-(3-bromo-1-adamantyl)acetic acid (4-cyano-2-methoxyphenyl) ester IUPAC Name: (4-cyano-2-methoxyphenyl) 2-(3-bromo-1-adamantyl)acetate Traditional Name: 2-(3-bromo-1-adamantyl)acetic acid (4-cyano-2-methoxy-phenyl) ester Formula: C20H22BrNO3 MolecularWeight: 404.29758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OC(=O)CC23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OC(=O)CC23CC4CC(C2)CC(C4)(C3)Br

InChI

InChI=1S/C20H22BrNO3/c1-24-17-5-13(11-22)2-3-16(17)25-18(23)10-19-6-14-4-15(7-19)9-20(21,8-14)12-19/h2-3,5,14-15H,4,6-10,12H2,1H3