N-ethylethanamine; 2-[5-fluoranyl-2-methyl-3-(quinolin-2-ylmethyl)indol-1-yl]ethanoic acid

Systemtic Name: N-ethylethanamine; 2-[5-fluoranyl-2-methyl-3-(quinolin-2-ylmethyl)indol-1-yl]ethanoic acid Openeye Name: N-ethylethanamine; 2-[5-fluoro-2-methyl-3-(2-quinolylmethyl)indol-1-yl]acetic acid CAS Name: N-ethylethanamine; 2-[5-fluoro-2-methyl-3-(2-quinolinylmethyl)-1-indolyl]acetic acid IUPAC Name: N-ethylethanamine; 2-[5-fluoro-2-methyl-3-(quinolin-2-ylmethyl)indol-1-yl]acetic acid Traditional Name: diethylamine; 2-[5-fluoro-2-methyl-3-(2-quinolylmethyl)indol-1-yl]acetic acid Formula: C25H28FN3O2 MolecularWeight: 421.507123

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC.CC1=C(C2=C(N1CC(=O)O)C=CC(=C2)F)CC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CCNCC.CC1=C(C2=C(N1CC(=O)O)C=CC(=C2)F)CC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H17FN2O2.C4H11N/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;1-3-5-4-2/h2-10H,11-12H2,1H3,(H,25,26);5H,3-4H2,1-2H3