(4E)-4-hydroxyimino-4-[4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]phenyl]butanoic acid

Systemtic Name: (4E)-4-hydroxyimino-4-[4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]phenyl]butanoic acid Openeye Name: (4E)-4-hydroxyimino-4-[4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]phenyl]butanoic acid CAS Name: (4E)-4-hydroxyimino-4-[4-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]phenyl]butanoic acid IUPAC Name: (4E)-4-hydroxyimino-4-[4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]phenyl]butanoic acid Traditional Name: (4E)-4-hydroximino-4-[4-[4-[4-(2-pyrimidyl)piperazino]butyl]phenyl]butyric acid Formula: C22H29N5O3 MolecularWeight: 411.49736

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCC2=CC=C(C=C2)C(=NO)CCC(=O)O)C3=NC=CC=N3

Isomeric SMILES

C1CN(CCN1CCCCC2=CC=C(C=C2)/C(=N/O)/CCC(=O)O)C3=NC=CC=N3

InChI

InChI=1S/C22H29N5O3/c28-21(29)10-9-20(25-30)19-7-5-18(6-8-19)4-1-2-13-26-14-16-27(17-15-26)22-23-11-3-12-24-22/h3,5-8,11-12,30H,1-2,4,9-10,13-17H2,(H,28,29)/b25-20+