1-[(5-bromanyl-2-fluoranyl-phenyl)methyl]indole-3-carboxylic acid

Systemtic Name: 1-[(5-bromanyl-2-fluoranyl-phenyl)methyl]indole-3-carboxylic acid Openeye Name: 1-[(5-bromo-2-fluoro-phenyl)methyl]indole-3-carboxylic acid CAS Name: 1-[(5-bromo-2-fluorophenyl)methyl]-3-indolecarboxylic acid IUPAC Name: 1-[(5-bromo-2-fluorophenyl)methyl]indole-3-carboxylic acid Traditional Name: 1-(5-bromo-2-fluoro-benzyl)indole-3-carboxylic acid Formula: C16H11BrFNO2 MolecularWeight: 348.166443

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CC3=C(C=CC(=C3)Br)F)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CC3=C(C=CC(=C3)Br)F)C(=O)O

InChI

InChI=1S/C16H11BrFNO2/c17-11-5-6-14(18)10(7-11)8-19-9-13(16(20)21)12-3-1-2-4-15(12)19/h1-7,9H,8H2,(H,20,21)