ethyl 4-[[(5S,7R)-3-bromanyl-1-adamantyl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[(5S,7R)-3-bromanyl-1-adamantyl]carbonylamino]benzoate Openeye Name: ethyl 4-[[(5S,7R)-3-bromoadamantane-1-carbonyl]amino]benzoate CAS Name: 4-[[[(5S,7R)-3-bromo-1-adamantyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(5S,7R)-3-bromoadamantane-1-carbonyl]amino]benzoate Traditional Name: 4-[[(5S,7R)-3-bromoadamantane-1-carbonyl]amino]benzoic acid ethyl ester Formula: C20H24BrNO3 MolecularWeight: 406.31346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Br

InChI

InChI=1S/C20H24BrNO3/c1-2-25-17(23)15-3-5-16(6-4-15)22-18(24)19-8-13-7-14(9-19)11-20(21,10-13)12-19/h3-6,13-14H,2,7-12H2,1H3,(H,22,24)/t13-,14+,19?,20?