[2-(4-pentylphenyl)pyrimidin-5-yl] 4-decoxy-2-fluoranyl-benzoate

Systemtic Name: [2-(4-pentylphenyl)pyrimidin-5-yl] 4-decoxy-2-fluoranyl-benzoate Openeye Name: [2-(4-pentylphenyl)pyrimidin-5-yl] 4-decoxy-2-fluoro-benzoate CAS Name: 4-decoxy-2-fluorobenzoic acid [2-(4-pentylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-pentylphenyl)pyrimidin-5-yl] 4-decoxy-2-fluorobenzoate Traditional Name: 4-decoxy-2-fluoro-benzoic acid [2-(4-amylphenyl)pyrimidin-5-yl] ester Formula: C32H41FN2O3 MolecularWeight: 520.677943

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC(=C(C=C1)C(=O)OC2=CN=C(N=C2)C3=CC=C(C=C3)CCCCC)F

Isomeric SMILES

CCCCCCCCCCOC1=CC(=C(C=C1)C(=O)OC2=CN=C(N=C2)C3=CC=C(C=C3)CCCCC)F

InChI

InChI=1S/C32H41FN2O3/c1-3-5-7-8-9-10-11-13-21-37-27-19-20-29(30(33)22-27)32(36)38-28-23-34-31(35-24-28)26-17-15-25(16-18-26)14-12-6-4-2/h15-20,22-24H,3-14,21H2,1-2H3