ethyl 4-[2-(3-bromanyl-1-adamantyl)ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-(3-bromanyl-1-adamantyl)ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(3-bromo-1-adamantyl)acetyl]amino]benzoate CAS Name: 4-[[2-(3-bromo-1-adamantyl)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(3-bromo-1-adamantyl)acetyl]amino]benzoate Traditional Name: 4-[[2-(3-bromo-1-adamantyl)acetyl]amino]benzoic acid ethyl ester Formula: C21H26BrNO3 MolecularWeight: 420.34004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CC23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CC23CC4CC(C2)CC(C4)(C3)Br

InChI

InChI=1S/C21H26BrNO3/c1-2-26-19(25)16-3-5-17(6-4-16)23-18(24)12-20-8-14-7-15(9-20)11-21(22,10-14)13-20/h3-6,14-15H,2,7-13H2,1H3,(H,23,24)