methyl 2-[[4-[2-(3-bromanyl-1-adamantyl)ethanoylamino]phenyl]carbonylamino]ethanoate

Systemtic Name: methyl 2-[[4-[2-(3-bromanyl-1-adamantyl)ethanoylamino]phenyl]carbonylamino]ethanoate Openeye Name: methyl 2-[[4-[[2-(3-bromo-1-adamantyl)acetyl]amino]benzoyl]amino]acetate CAS Name: 2-[[[4-[[2-(3-bromo-1-adamantyl)-1-oxoethyl]amino]phenyl]-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[4-[[2-(3-bromo-1-adamantyl)acetyl]amino]benzoyl]amino]acetate Traditional Name: 2-[[4-[[2-(3-bromo-1-adamantyl)acetyl]amino]benzoyl]amino]acetic acid methyl ester Formula: C22H27BrN2O4 MolecularWeight: 463.36478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27BrN2O4/c1-29-19(27)12-24-20(28)16-2-4-17(5-3-16)25-18(26)11-21-7-14-6-15(8-21)10-22(23,9-14)13-21/h2-5,14-15H,6-13H2,1H3,(H,24,28)(H,25,26)