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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)O)NC(=O)CN2CCN(CC2)C(CCOC3=CC=CC4=C3C=CC=N4)O

Isomeric SMILES

C1CC(CCC1C(=O)O)NC(=O)CN2CCN(CC2)C(CCOC3=CC=CC4=C3C=CC=N4)O

InChI

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