4-[2-[4-(2-oxidanyl-3-quinolin-5-yloxy-propyl)piperazin-1-yl]ethanoylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[2-[4-(2-oxidanyl-3-quinolin-5-yloxy-propyl)piperazin-1-yl]ethanoylamino]cyclohexane-1-carboxylic acid Openeye Name: 4-[[2-[4-[2-hydroxy-3-(5-quinolyloxy)propyl]piperazin-1-yl]acetyl]amino]cyclohexanecarboxylic acid CAS Name: 4-[[2-[4-[2-hydroxy-3-(5-quinolinyloxy)propyl]-1-piperazinyl]-1-oxoethyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[2-[4-(2-hydroxy-3-quinolin-5-yloxypropyl)piperazin-1-yl]acetyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 4-[[2-[4-[2-hydroxy-3-(5-quinolyloxy)propyl]piperazino]acetyl]amino]cyclohexanecarboxylic acid Formula: C25H34N4O5 MolecularWeight: 470.56126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)O)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC4=C3C=CC=N4)O

Isomeric SMILES

C1CC(CCC1C(=O)O)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC4=C3C=CC=N4)O

InChI

InChI=1S/C25H34N4O5/c30-20(17-34-23-5-1-4-22-21(23)3-2-10-26-22)15-28-11-13-29(14-12-28)16-24(31)27-19-8-6-18(7-9-19)25(32)33/h1-5,10,18-20,30H,6-9,11-17H2,(H,27,31)(H,32,33)