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

Systemtic Name: (4-cyanophenyl)methyl 2-(3-bromanyl-1-adamantyl)ethanoate Openeye Name: (4-cyanophenyl)methyl 2-(3-bromo-1-adamantyl)acetate CAS Name: 2-(3-bromo-1-adamantyl)acetic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 2-(3-bromo-1-adamantyl)acetate Traditional Name: 2-(3-bromo-1-adamantyl)acetic acid (4-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=C(C=C4)C#N

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)OCC4=CC=C(C=C4)C#N

InChI

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