4-[[3-(6-bromanylindol-1-yl)propanoylamino]methyl]benzoic acid

Systemtic Name: 4-[[3-(6-bromanylindol-1-yl)propanoylamino]methyl]benzoic acid Openeye Name: 4-[[3-(6-bromoindol-1-yl)propanoylamino]methyl]benzoic acid CAS Name: 4-[[[3-(6-bromo-1-indolyl)-1-oxopropyl]amino]methyl]benzoic acid IUPAC Name: 4-[[3-(6-bromoindol-1-yl)propanoylamino]methyl]benzoic acid Traditional Name: 4-[[3-(6-bromoindol-1-yl)propanoylamino]methyl]benzoic acid Formula: C19H17BrN2O3 MolecularWeight: 401.25388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C1C=CN2CCC(=O)NCC3=CC=C(C=C3)C(=O)O)Br

Isomeric SMILES

C1=CC(=CC2=C1C=CN2CCC(=O)NCC3=CC=C(C=C3)C(=O)O)Br

InChI

InChI=1S/C19H17BrN2O3/c20-16-6-5-14-7-9-22(17(14)11-16)10-8-18(23)21-12-13-1-3-15(4-2-13)19(24)25/h1-7,9,11H,8,10,12H2,(H,21,23)(H,24,25)