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

Systemtic Name: 5-(pentanoylamino)-2-(4-pyrimidin-2-ylpiperazin-1-yl)benzoic acid Openeye Name: 5-(pentanoylamino)-2-(4-pyrimidin-2-ylpiperazin-1-yl)benzoic acid CAS Name: 5-(1-oxopentylamino)-2-[4-(2-pyrimidinyl)-1-piperazinyl]benzoic acid IUPAC Name: 5-(pentanoylamino)-2-(4-pyrimidin-2-ylpiperazin-1-yl)benzoic acid Traditional Name: 2-[4-(2-pyrimidyl)piperazino]-5-(valerylamino)benzoic acid Formula: C20H25N5O3 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O3/c1-2-3-5-18(26)23-15-6-7-17(16(14-15)19(27)28)24-10-12-25(13-11-24)20-21-8-4-9-22-20/h4,6-9,14H,2-3,5,10-13H2,1H3,(H,23,26)(H,27,28)