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

Systemtic Name: 1-(2-methylpropyl)indole-3-carboxylic acid Openeye Name: 1-isobutylindole-3-carboxylic acid CAS Name: 1-(2-methylpropyl)-3-indolecarboxylic acid IUPAC Name: 1-(2-methylpropyl)indole-3-carboxylic acid Traditional Name: 1-isobutylindole-3-carboxylic acid Formula: C13H15NO2 MolecularWeight: 217.2637

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C(C2=CC=CC=C21)C(=O)O

Isomeric SMILES

CC(C)CN1C=C(C2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C13H15NO2/c1-9(2)7-14-8-11(13(15)16)10-5-3-4-6-12(10)14/h3-6,8-9H,7H2,1-2H3,(H,15,16)