[2-(4-acetamidophenyl)-2-oxidanylidene-ethyl] 2-(3-bromanyl-1-adamantyl)ethanoate

Systemtic Name: [2-(4-acetamidophenyl)-2-oxidanylidene-ethyl] 2-(3-bromanyl-1-adamantyl)ethanoate Openeye Name: [2-(4-acetamidophenyl)-2-oxo-ethyl] 2-(3-bromo-1-adamantyl)acetate CAS Name: 2-(3-bromo-1-adamantyl)acetic acid [2-(4-acetamidophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetamidophenyl)-2-oxoethyl] 2-(3-bromo-1-adamantyl)acetate Traditional Name: 2-(3-bromo-1-adamantyl)acetic acid [2-(4-acetamidophenyl)-2-keto-ethyl] ester Formula: C22H26BrNO4 MolecularWeight: 448.35014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CC23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CC23CC4CC(C2)CC(C4)(C3)Br

InChI

InChI=1S/C22H26BrNO4/c1-14(25)24-18-4-2-17(3-5-18)19(26)12-28-20(27)11-21-7-15-6-16(8-21)10-22(23,9-15)13-21/h2-5,15-16H,6-13H2,1H3,(H,24,25)