1-butyl-2-chloranyl-indole-3-carboxylic acid

Systemtic Name: 1-butyl-2-chloranyl-indole-3-carboxylic acid Openeye Name: 1-butyl-2-chloro-indole-3-carboxylic acid CAS Name: 1-butyl-2-chloro-3-indolecarboxylic acid IUPAC Name: 1-butyl-2-chloroindole-3-carboxylic acid Traditional Name: 1-butyl-2-chloro-indole-3-carboxylic acid Formula: C13H14ClNO2 MolecularWeight: 251.70876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2C(=C1Cl)C(=O)O

Isomeric SMILES

CCCCN1C2=CC=CC=C2C(=C1Cl)C(=O)O

InChI

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