3-[3-(6-bromanylindol-1-yl)propanoylamino]propanoic acid

Systemtic Name: 3-[3-(6-bromanylindol-1-yl)propanoylamino]propanoic acid Openeye Name: 3-[3-(6-bromoindol-1-yl)propanoylamino]propanoic acid CAS Name: 3-[[3-(6-bromo-1-indolyl)-1-oxopropyl]amino]propanoic acid IUPAC Name: 3-[3-(6-bromoindol-1-yl)propanoylamino]propanoic acid Traditional Name: 3-[3-(6-bromoindol-1-yl)propanoylamino]propionic acid Formula: C14H15BrN2O3 MolecularWeight: 339.1845

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C1C=CN2CCC(=O)NCCC(=O)O)Br

Isomeric SMILES

C1=CC(=CC2=C1C=CN2CCC(=O)NCCC(=O)O)Br

InChI

InChI=1S/C14H15BrN2O3/c15-11-2-1-10-4-7-17(12(10)9-11)8-5-13(18)16-6-3-14(19)20/h1-2,4,7,9H,3,5-6,8H2,(H,16,18)(H,19,20)