2-[3-(6-bromanylindol-1-yl)propanoylamino]ethanoate

Systemtic Name: 2-[3-(6-bromanylindol-1-yl)propanoylamino]ethanoate Openeye Name: 2-[3-(6-bromoindol-1-yl)propanoylamino]acetate CAS Name: 2-[[3-(6-bromo-1-indolyl)-1-oxopropyl]amino]acetate IUPAC Name: 2-[3-(6-bromoindol-1-yl)propanoylamino]acetate Traditional Name: 2-[3-(6-bromoindol-1-yl)propanoylamino]acetate Formula: C13H12BrN2O3- MolecularWeight: 324.14998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C1C=CN2CCC(=O)NCC(=O)[O-])Br

Isomeric SMILES

C1=CC(=CC2=C1C=CN2CCC(=O)NCC(=O)[O-])Br

InChI

InChI=1S/C13H13BrN2O3/c14-10-2-1-9-3-5-16(11(9)7-10)6-4-12(17)15-8-13(18)19/h1-3,5,7H,4,6,8H2,(H,15,17)(H,18,19)/p-1