3-[4-[[3-fluoranyl-2-(2-oxidanylidene-1H-quinolin-3-yl)-1H-indol-6-yl]methyl]piperazin-1-yl]butanoic acid

Systemtic Name: 3-[4-[[3-fluoranyl-2-(2-oxidanylidene-1H-quinolin-3-yl)-1H-indol-6-yl]methyl]piperazin-1-yl]butanoic acid Openeye Name: 3-[4-[[3-fluoro-2-(2-oxo-1H-quinolin-3-yl)-1H-indol-6-yl]methyl]piperazin-1-yl]butanoic acid CAS Name: 3-[4-[[3-fluoro-2-(2-oxo-1H-quinolin-3-yl)-1H-indol-6-yl]methyl]-1-piperazinyl]butanoic acid IUPAC Name: 3-[4-[[3-fluoro-2-(2-oxo-1H-quinolin-3-yl)-1H-indol-6-yl]methyl]piperazin-1-yl]butanoic acid Traditional Name: 3-[4-[[3-fluoro-2-(2-keto-1H-quinolin-3-yl)-1H-indol-6-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=CC3=C(C=C2)C(=C(N3)C4=CC5=CC=CC=C5NC4=O)F

Isomeric SMILES

CC(CC(=O)O)N1CCN(CC1)CC2=CC3=C(C=C2)C(=C(N3)C4=CC5=CC=CC=C5NC4=O)F

InChI

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