3-ethyl-2-(1H-indol-3-ylcarbonyl)octanoic acid

Systemtic Name: 3-ethyl-2-(1H-indol-3-ylcarbonyl)octanoic acid Openeye Name: 3-ethyl-2-(1H-indole-3-carbonyl)octanoic acid CAS Name: 3-ethyl-2-[1H-indol-3-yl(oxo)methyl]octanoic acid IUPAC Name: 3-ethyl-2-(1H-indole-3-carbonyl)octanoic acid Traditional Name: 3-ethyl-2-(1H-indole-3-carbonyl)caprylic acid Formula: C19H25NO3 MolecularWeight: 315.4067

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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)