1-butyl-6-chloranyl-indole-3-carboxylic acid

Systemtic Name: 1-butyl-6-chloranyl-indole-3-carboxylic acid Openeye Name: 1-butyl-6-chloro-indole-3-carboxylic acid CAS Name: 1-butyl-6-chloro-3-indolecarboxylic acid IUPAC Name: 1-butyl-6-chloroindole-3-carboxylic acid Traditional Name: 1-butyl-6-chloro-indole-3-carboxylic acid Formula: C13H14ClNO2 MolecularWeight: 251.70876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C(C2=C1C=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CCCCN1C=C(C2=C1C=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C13H14ClNO2/c1-2-3-6-15-8-11(13(16)17)10-5-4-9(14)7-12(10)15/h4-5,7-8H,2-3,6H2,1H3,(H,16,17)