[3-[[3-ethyl-5-(4-fluoranylphenoxy)-1-phenyl-pyrazol-4-yl]methyl-propyl-amino]-2-oxidanyl-propyl] butanoate

Systemtic Name: [3-[[3-ethyl-5-(4-fluoranylphenoxy)-1-phenyl-pyrazol-4-yl]methyl-propyl-amino]-2-oxidanyl-propyl] butanoate Openeye Name: [3-[[3-ethyl-5-(4-fluorophenoxy)-1-phenyl-pyrazol-4-yl]methyl-propyl-amino]-2-hydroxy-propyl] butanoate CAS Name: butanoic acid [3-[[3-ethyl-5-(4-fluorophenoxy)-1-phenyl-4-pyrazolyl]methyl-propylamino]-2-hydroxypropyl] ester IUPAC Name: [3-[[3-ethyl-5-(4-fluorophenoxy)-1-phenylpyrazol-4-yl]methyl-propylamino]-2-hydroxypropyl] butanoate Traditional Name: butyric acid [3-[[3-ethyl-5-(4-fluorophenoxy)-1-phenyl-pyrazol-4-yl]methyl-propyl-amino]-2-hydroxy-propyl] ester Formula: C28H36FN3O4 MolecularWeight: 497.601543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCC(CN(CCC)CC1=C(N(N=C1CC)C2=CC=CC=C2)OC3=CC=C(C=C3)F)O

Isomeric SMILES

CCCC(=O)OCC(CN(CCC)CC1=C(N(N=C1CC)C2=CC=CC=C2)OC3=CC=C(C=C3)F)O

InChI

InChI=1S/C28H36FN3O4/c1-4-10-27(34)35-20-23(33)18-31(17-5-2)19-25-26(6-3)30-32(22-11-8-7-9-12-22)28(25)36-24-15-13-21(29)14-16-24/h7-9,11-16,23,33H,4-6,10,17-20H2,1-3H3