sodium 2-[5-fluoranyl-2-methyl-3-(quinolin-2-ylmethyl)indol-1-yl]ethanoate

Systemtic Name: sodium 2-[5-fluoranyl-2-methyl-3-(quinolin-2-ylmethyl)indol-1-yl]ethanoate Openeye Name: sodium 2-[5-fluoro-2-methyl-3-(2-quinolylmethyl)indol-1-yl]acetate CAS Name: sodium 2-[5-fluoro-2-methyl-3-(2-quinolinylmethyl)-1-indolyl]acetate IUPAC Name: sodium 2-[5-fluoro-2-methyl-3-(quinolin-2-ylmethyl)indol-1-yl]acetate Traditional Name: sodium 2-[5-fluoro-2-methyl-3-(2-quinolylmethyl)indol-1-yl]acetate Formula: C21H16FN2NaO2 MolecularWeight: 370.352113

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC(=O)[O-])C=CC(=C2)F)CC3=NC4=CC=CC=C4C=C3.[Na+]

Isomeric SMILES

CC1=C(C2=C(N1CC(=O)[O-])C=CC(=C2)F)CC3=NC4=CC=CC=C4C=C3.[Na+]

InChI

InChI=1S/C21H17FN2O2.Na/c1-13-17(11-16-8-6-14-4-2-3-5-19(14)23-16)18-10-15(22)7-9-20(18)24(13)12-21(25)26;/h2-10H,11-12H2,1H3,(H,25,26);/q;+1/p-1