3-[4-[[2-(2-oxidanylidene-1H-quinolin-3-yl)-1H-indol-5-yl]methyl]piperazin-1-yl]butanoic acid

Systemtic Name: 3-[4-[[2-(2-oxidanylidene-1H-quinolin-3-yl)-1H-indol-5-yl]methyl]piperazin-1-yl]butanoic acid Openeye Name: 3-[4-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]methyl]piperazin-1-yl]butanoic acid CAS Name: 3-[4-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]methyl]-1-piperazinyl]butanoic acid IUPAC Name: 3-[4-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]methyl]piperazin-1-yl]butanoic acid Traditional Name: 3-[4-[[2-(2-keto-1H-quinolin-3-yl)-1H-indol-5-yl]methyl]piperazino]butyric acid Formula: C26H28N4O3 MolecularWeight: 444.52552

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)N1CCN(CC1)CC2=CC3=C(C=C2)NC(=C3)C4=CC5=CC=CC=C5NC4=O

Isomeric SMILES

CC(CC(=O)O)N1CCN(CC1)CC2=CC3=C(C=C2)NC(=C3)C4=CC5=CC=CC=C5NC4=O

InChI

InChI=1S/C26H28N4O3/c1-17(12-25(31)32)30-10-8-29(9-11-30)16-18-6-7-23-20(13-18)15-24(27-23)21-14-19-4-2-3-5-22(19)28-26(21)33/h2-7,13-15,17,27H,8-12,16H2,1H3,(H,28,33)(H,31,32)