2-[3-(6-bromanyl-1H-indol-3-yl)propanoylamino]ethanoic acid

Systemtic Name: 2-[3-(6-bromanyl-1H-indol-3-yl)propanoylamino]ethanoic acid Openeye Name: 2-[3-(6-bromo-1H-indol-3-yl)propanoylamino]acetic acid CAS Name: 2-[[3-(6-bromo-1H-indol-3-yl)-1-oxopropyl]amino]acetic acid IUPAC Name: 2-[3-(6-bromo-1H-indol-3-yl)propanoylamino]acetic acid Traditional Name: 2-[3-(6-bromo-1H-indol-3-yl)propanoylamino]acetic acid Formula: C13H13BrN2O3 MolecularWeight: 325.15792

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)NC=C2CCC(=O)NCC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1Br)NC=C2CCC(=O)NCC(=O)O

InChI

InChI=1S/C13H13BrN2O3/c14-9-2-3-10-8(6-15-11(10)5-9)1-4-12(17)16-7-13(18)19/h2-3,5-6,15H,1,4,7H2,(H,16,17)(H,18,19)