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

Systemtic Name: (2-cyanophenyl)methyl 2-(3-bromanyl-1-adamantyl)ethanoate Openeye Name: (2-cyanophenyl)methyl 2-(3-bromo-1-adamantyl)acetate CAS Name: 2-(3-bromo-1-adamantyl)acetic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 2-(3-bromo-1-adamantyl)acetate Traditional Name: 2-(3-bromo-1-adamantyl)acetic acid (2-cyanobenzyl) ester Formula: C20H22BrNO2 MolecularWeight: 388.29818

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)OCC4=CC=CC=C4C#N

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)OCC4=CC=CC=C4C#N

InChI

InChI=1S/C20H22BrNO2/c21-20-8-14-5-15(9-20)7-19(6-14,13-20)10-18(23)24-12-17-4-2-1-3-16(17)11-22/h1-4,14-15H,5-10,12-13H2