6-chloranyl-1-(2-methylpropyl)indole-3-carboxylic acid

Systemtic Name: 6-chloranyl-1-(2-methylpropyl)indole-3-carboxylic acid Openeye Name: 6-chloro-1-isobutyl-indole-3-carboxylic acid CAS Name: 6-chloro-1-(2-methylpropyl)-3-indolecarboxylic acid IUPAC Name: 6-chloro-1-(2-methylpropyl)indole-3-carboxylic acid Traditional Name: 6-chloro-1-isobutyl-indole-3-carboxylic acid Formula: C13H14ClNO2 MolecularWeight: 251.70876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C(C2=C1C=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CC(C)CN1C=C(C2=C1C=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C13H14ClNO2/c1-8(2)6-15-7-11(13(16)17)10-4-3-9(14)5-12(10)15/h3-5,7-8H,6H2,1-2H3,(H,16,17)