[2-(4-nonylphenyl)pyrimidin-5-yl] 2-fluoranyl-4-pentoxy-benzoate

Systemtic Name: [2-(4-nonylphenyl)pyrimidin-5-yl] 2-fluoranyl-4-pentoxy-benzoate Openeye Name: [2-(4-nonylphenyl)pyrimidin-5-yl] 2-fluoro-4-pentoxy-benzoate CAS Name: 2-fluoro-4-pentoxybenzoic acid [2-(4-nonylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-nonylphenyl)pyrimidin-5-yl] 2-fluoro-4-pentoxybenzoate Traditional Name: 4-amoxy-2-fluoro-benzoic acid [2-(4-nonylphenyl)pyrimidin-5-yl] ester Formula: C31H39FN2O3 MolecularWeight: 506.651363

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)C3=C(C=C(C=C3)OCCCCC)F

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)C3=C(C=C(C=C3)OCCCCC)F

InChI

InChI=1S/C31H39FN2O3/c1-3-5-7-8-9-10-11-13-24-14-16-25(17-15-24)30-33-22-27(23-34-30)37-31(35)28-19-18-26(21-29(28)32)36-20-12-6-4-2/h14-19,21-23H,3-13,20H2,1-2H3