5-(4-bromanylbutoxy)indole-1-carboxylic acid

Systemtic Name: 5-(4-bromanylbutoxy)indole-1-carboxylic acid Openeye Name: 5-(4-bromobutoxy)indole-1-carboxylic acid CAS Name: 5-(4-bromobutoxy)-1-indolecarboxylic acid IUPAC Name: 5-(4-bromobutoxy)indole-1-carboxylic acid Traditional Name: 5-(4-bromobutoxy)indole-1-carboxylic acid Formula: C13H14BrNO3 MolecularWeight: 312.15916

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN2C(=O)O)C=C1OCCCCBr

Isomeric SMILES

C1=CC2=C(C=CN2C(=O)O)C=C1OCCCCBr

InChI

InChI=1S/C13H14BrNO3/c14-6-1-2-8-18-11-3-4-12-10(9-11)5-7-15(12)13(16)17/h3-5,7,9H,1-2,6,8H2,(H,16,17)