3-ethyl-2-(1H-indol-3-ylcarbonyl)octanoate

Systemtic Name: 3-ethyl-2-(1H-indol-3-ylcarbonyl)octanoate Openeye Name: 3-ethyl-2-(1H-indole-3-carbonyl)octanoate CAS Name: 3-ethyl-2-[1H-indol-3-yl(oxo)methyl]octanoate IUPAC Name: 3-ethyl-2-(1H-indole-3-carbonyl)octanoate Traditional Name: 3-ethyl-2-(1H-indole-3-carbonyl)caprylate Formula: C19H24NO3- MolecularWeight: 314.39876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)C(C(=O)C1=CNC2=CC=CC=C21)C(=O)[O-]

Isomeric SMILES

CCCCCC(CC)C(C(=O)C1=CNC2=CC=CC=C21)C(=O)[O-]

InChI

InChI=1S/C19H25NO3/c1-3-5-6-9-13(4-2)17(19(22)23)18(21)15-12-20-16-11-8-7-10-14(15)16/h7-8,10-13,17,20H,3-6,9H2,1-2H3,(H,22,23)/p-1