(4-cyanophenyl) 2-(3-bromanyl-1-adamantyl)ethanoate

Systemtic Name: (4-cyanophenyl) 2-(3-bromanyl-1-adamantyl)ethanoate Openeye Name: (4-cyanophenyl) 2-(3-bromo-1-adamantyl)acetate CAS Name: 2-(3-bromo-1-adamantyl)acetic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 2-(3-bromo-1-adamantyl)acetate Traditional Name: 2-(3-bromo-1-adamantyl)acetic acid (4-cyanophenyl) ester Formula: C19H20BrNO2 MolecularWeight: 374.2716

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)OC4=CC=C(C=C4)C#N

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)OC4=CC=C(C=C4)C#N

InChI

InChI=1S/C19H20BrNO2/c20-19-8-14-5-15(9-19)7-18(6-14,12-19)10-17(22)23-16-3-1-13(11-21)2-4-16/h1-4,14-15H,5-10,12H2