3-(5-fluoranyl-1H-indol-3-yl)propanoic acid; 3-(5-fluoranyl-1H-indol-3-yl)propan-1-ol

Systemtic Name: 3-(5-fluoranyl-1H-indol-3-yl)propanoic acid; 3-(5-fluoranyl-1H-indol-3-yl)propan-1-ol Openeye Name: 3-(5-fluoro-1H-indol-3-yl)propanoic acid; 3-(5-fluoro-1H-indol-3-yl)propan-1-ol CAS Name: 3-(5-fluoro-1H-indol-3-yl)propanoic acid; 3-(5-fluoro-1H-indol-3-yl)-1-propanol IUPAC Name: 3-(5-fluoro-1H-indol-3-yl)propanoic acid; 3-(5-fluoro-1H-indol-3-yl)propan-1-ol Traditional Name: 3-(5-fluoro-1H-indol-3-yl)propan-1-ol; 3-(5-fluoro-1H-indol-3-yl)propionic acid Formula: C22H22F2N2O3 MolecularWeight: 400.418486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1F)C(=CN2)CCCO.C1=CC2=C(C=C1F)C(=CN2)CCC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1F)C(=CN2)CCCO.C1=CC2=C(C=C1F)C(=CN2)CCC(=O)O

InChI

InChI=1S/C11H10FNO2.C11H12FNO/c12-8-2-3-10-9(5-8)7(6-13-10)1-4-11(14)15;12-9-3-4-11-10(6-9)8(7-13-11)2-1-5-14/h2-3,5-6,13H,1,4H2,(H,14,15);3-4,6-7,13-14H,1-2,5H2