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5-(pentanoylamino)-2-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid

5-(pentanoylamino)-2-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid

Systemtic Name:5-(pentanoylamino)-2-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid
Openeye Name:5-(pentanoylamino)-2-[4-(2-pyridyl)piperazin-1-yl]benzoic acid
CAS Name:5-(1-oxopentylamino)-2-[4-(2-pyridinyl)-1-piperazinyl]benzoic acid
IUPAC Name:5-(pentanoylamino)-2-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid
Traditional Name:2-[4-(2-pyridyl)piperazino]-5-(valerylamino)benzoic acid
Formula: C21H26N4O3
MolecularWeight: 382.45614
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)C3=CC=CC=N3)C(=O)O


Isomeric SMILES

CCCCC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)C3=CC=CC=N3)C(=O)O


InChI

InChI=1S/C21H26N4O3/c1-2-3-7-20(26)23-16-8-9-18(17(15-16)21(27)28)24-11-13-25(14-12-24)19-6-4-5-10-22-19/h4-6,8-10,15H,2-3,7,11-14H2,1H3,(H,23,26)(H,27,28)


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