1-butanoyl-2,3-dihydroindole-5-carboxylic acid

Systemtic Name: 1-butanoyl-2,3-dihydroindole-5-carboxylic acid Openeye Name: 1-butanoylindoline-5-carboxylic acid CAS Name: 1-(1-oxobutyl)-2,3-dihydroindole-5-carboxylic acid IUPAC Name: 1-butanoyl-2,3-dihydroindole-5-carboxylic acid Traditional Name: 1-butyrylindoline-5-carboxylic acid Formula: C13H15NO3 MolecularWeight: 233.2631

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCC2=C1C=CC(=C2)C(=O)O

Isomeric SMILES

CCCC(=O)N1CCC2=C1C=CC(=C2)C(=O)O

InChI

InChI=1S/C13H15NO3/c1-2-3-12(15)14-7-6-9-8-10(13(16)17)4-5-11(9)14/h4-5,8H,2-3,6-7H2,1H3,(H,16,17)