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2-[4-(4-quinolin-2-ylpiperazin-1-yl)pentanoylamino]benzoic acid

2-[4-(4-quinolin-2-ylpiperazin-1-yl)pentanoylamino]benzoic acid

Systemtic Name:2-[4-(4-quinolin-2-ylpiperazin-1-yl)pentanoylamino]benzoic acid
Openeye Name:2-[4-[4-(2-quinolyl)piperazin-1-yl]pentanoylamino]benzoic acid
CAS Name:2-[[1-oxo-4-[4-(2-quinolinyl)-1-piperazinyl]pentyl]amino]benzoic acid
IUPAC Name:2-[4-(4-quinolin-2-ylpiperazin-1-yl)pentanoylamino]benzoic acid
Traditional Name:2-[4-[4-(2-quinolyl)piperazino]pentanoylamino]benzoic acid
Formula: C25H28N4O3
MolecularWeight: 432.51482
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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)NC1=CC=CC=C1C(=O)O)N2CCN(CC2)C3=NC4=CC=CC=C4C=C3


Isomeric SMILES

CC(CCC(=O)NC1=CC=CC=C1C(=O)O)N2CCN(CC2)C3=NC4=CC=CC=C4C=C3


InChI

InChI=1S/C25H28N4O3/c1-18(10-13-24(30)27-22-9-5-3-7-20(22)25(31)32)28-14-16-29(17-15-28)23-12-11-19-6-2-4-8-21(19)26-23/h2-9,11-12,18H,10,13-17H2,1H3,(H,27,30)(H,31,32)


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