3-[4-[[3-fluoranyl-2-(2-oxidanylidene-1H-quinolin-3-yl)-1H-indol-4-yl]methyl]piperazin-1-yl]butanoic acid

Systemtic Name: 3-[4-[[3-fluoranyl-2-(2-oxidanylidene-1H-quinolin-3-yl)-1H-indol-4-yl]methyl]piperazin-1-yl]butanoic acid Openeye Name: 3-[4-[[3-fluoro-2-(2-oxo-1H-quinolin-3-yl)-1H-indol-4-yl]methyl]piperazin-1-yl]butanoic acid CAS Name: 3-[4-[[3-fluoro-2-(2-oxo-1H-quinolin-3-yl)-1H-indol-4-yl]methyl]-1-piperazinyl]butanoic acid IUPAC Name: 3-[4-[[3-fluoro-2-(2-oxo-1H-quinolin-3-yl)-1H-indol-4-yl]methyl]piperazin-1-yl]butanoic acid Traditional Name: 3-[4-[[3-fluoro-2-(2-keto-1H-quinolin-3-yl)-1H-indol-4-yl]methyl]piperazino]butyric acid Formula: C26H27FN4O3 MolecularWeight: 462.515983

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)N1CCN(CC1)CC2=C3C(=CC=C2)NC(=C3F)C4=CC5=CC=CC=C5NC4=O

Isomeric SMILES

CC(CC(=O)O)N1CCN(CC1)CC2=C3C(=CC=C2)NC(=C3F)C4=CC5=CC=CC=C5NC4=O

InChI

InChI=1S/C26H27FN4O3/c1-16(13-22(32)33)31-11-9-30(10-12-31)15-18-6-4-8-21-23(18)24(27)25(28-21)19-14-17-5-2-3-7-20(17)29-26(19)34/h2-8,14,16,28H,9-13,15H2,1H3,(H,29,34)(H,32,33)