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

Systemtic Name: (4E)-4-hydroxyimino-4-[4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]butanoic acid Openeye Name: (4E)-4-hydroxyimino-4-[4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]butanoic acid CAS Name: (4E)-4-hydroxyimino-4-[4-[2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]phenyl]butanoic acid IUPAC Name: (4E)-4-hydroxyimino-4-[4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]butanoic acid Traditional Name: (4E)-4-hydroximino-4-[4-[2-[4-(2-pyrimidyl)piperazino]ethyl]phenyl]butyric acid Formula: C20H25N5O3 MolecularWeight: 383.4442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC=C(C=C2)C(=NO)CCC(=O)O)C3=NC=CC=N3

Isomeric SMILES

C1CN(CCN1CCC2=CC=C(C=C2)/C(=N/O)/CCC(=O)O)C3=NC=CC=N3

InChI

InChI=1S/C20H25N5O3/c26-19(27)7-6-18(23-28)17-4-2-16(3-5-17)8-11-24-12-14-25(15-13-24)20-21-9-1-10-22-20/h1-5,9-10,28H,6-8,11-15H2,(H,26,27)/b23-18+