ethyl 3-[(3-bromanyl-1-adamantyl)carbonylamino]-5-fluoranyl-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-[(3-bromanyl-1-adamantyl)carbonylamino]-5-fluoranyl-1H-indole-2-carboxylate Openeye Name: ethyl 3-[(3-bromoadamantane-1-carbonyl)amino]-5-fluoro-1H-indole-2-carboxylate CAS Name: 3-[[(3-bromo-1-adamantyl)-oxomethyl]amino]-5-fluoro-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(3-bromoadamantane-1-carbonyl)amino]-5-fluoro-1H-indole-2-carboxylate Traditional Name: 3-[(3-bromoadamantane-1-carbonyl)amino]-5-fluoro-1H-indole-2-carboxylic acid ethyl ester Formula: C22H24BrFN2O3 MolecularWeight: 463.339963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)F)NC(=O)C34CC5CC(C3)CC(C5)(C4)Br

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)F)NC(=O)C34CC5CC(C3)CC(C5)(C4)Br

InChI

InChI=1S/C22H24BrFN2O3/c1-2-29-19(27)18-17(15-6-14(24)3-4-16(15)25-18)26-20(28)21-7-12-5-13(8-21)10-22(23,9-12)11-21/h3-4,6,12-13,25H,2,5,7-11H2,1H3,(H,26,28)