3-[4-[4-[4-(4-chlorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-oxazol-5-yl]butanoylamino]phenyl]pentan-3-ylphosphonic acid

Systemtic Name: 3-[4-[4-[4-(4-chlorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-oxazol-5-yl]butanoylamino]phenyl]pentan-3-ylphosphonic acid Openeye Name: [1-[4-[4-[4-(4-chlorophenyl)-2-[4-(2-pyridyl)piperazin-1-yl]oxazol-5-yl]butanoylamino]phenyl]-1-ethyl-propyl]phosphonic acid CAS Name: 3-[4-[[4-[4-(4-chlorophenyl)-2-[4-(2-pyridinyl)-1-piperazinyl]-5-oxazolyl]-1-oxobutyl]amino]phenyl]pentan-3-ylphosphonic acid IUPAC Name: 3-[4-[4-[4-(4-chlorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-oxazol-5-yl]butanoylamino]phenyl]pentan-3-ylphosphonic acid Traditional Name: [1-[4-[4-[4-(4-chlorophenyl)-2-[4-(2-pyridyl)piperazino]oxazol-5-yl]butanoylamino]phenyl]-1-ethyl-propyl]phosphonic acid Formula: C33H39ClN5O5P MolecularWeight: 652.120021

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC=C(C=C1)NC(=O)CCCC2=C(N=C(O2)N3CCN(CC3)C4=CC=CC=N4)C5=CC=C(C=C5)Cl)P(=O)(O)O

Isomeric SMILES

CCC(CC)(C1=CC=C(C=C1)NC(=O)CCCC2=C(N=C(O2)N3CCN(CC3)C4=CC=CC=N4)C5=CC=C(C=C5)Cl)P(=O)(O)O

InChI

InChI=1S/C33H39ClN5O5P/c1-3-33(4-2,45(41,42)43)25-13-17-27(18-14-25)36-30(40)10-7-8-28-31(24-11-15-26(34)16-12-24)37-32(44-28)39-22-20-38(21-23-39)29-9-5-6-19-35-29/h5-6,9,11-19H,3-4,7-8,10,20-23H2,1-2H3,(H,36,40)(H2,41,42,43)