3-[5-bromanyl-3-(imidazol-1-ylmethyl)indol-1-yl]propanoic acid

Systemtic Name: 3-[5-bromanyl-3-(imidazol-1-ylmethyl)indol-1-yl]propanoic acid Openeye Name: 3-[5-bromo-3-(imidazol-1-ylmethyl)indol-1-yl]propanoic acid CAS Name: 3-[5-bromo-3-(1-imidazolylmethyl)-1-indolyl]propanoic acid IUPAC Name: 3-[5-bromo-3-(imidazol-1-ylmethyl)indol-1-yl]propanoic acid Traditional Name: 3-[5-bromo-3-(imidazol-1-ylmethyl)indol-1-yl]propionic acid Formula: C15H14BrN3O2 MolecularWeight: 348.19456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)C(=CN2CCC(=O)O)CN3C=CN=C3

Isomeric SMILES

C1=CC2=C(C=C1Br)C(=CN2CCC(=O)O)CN3C=CN=C3

InChI

InChI=1S/C15H14BrN3O2/c16-12-1-2-14-13(7-12)11(8-18-6-4-17-10-18)9-19(14)5-3-15(20)21/h1-2,4,6-7,9-10H,3,5,8H2,(H,20,21)