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

Systemtic Name: [2-(4-octylphenyl)pyrimidin-5-yl] 2-fluoranyl-4-pentoxy-benzoate Openeye Name: [2-(4-octylphenyl)pyrimidin-5-yl] 2-fluoro-4-pentoxy-benzoate CAS Name: 2-fluoro-4-pentoxybenzoic acid [2-(4-octylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-octylphenyl)pyrimidin-5-yl] 2-fluoro-4-pentoxybenzoate Traditional Name: 4-amoxy-2-fluoro-benzoic acid [2-(4-octylphenyl)pyrimidin-5-yl] ester Formula: C30H37FN2O3 MolecularWeight: 492.624783

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)C3=C(C=C(C=C3)OCCCCC)F

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)C3=C(C=C(C=C3)OCCCCC)F

InChI

InChI=1S/C30H37FN2O3/c1-3-5-7-8-9-10-12-23-13-15-24(16-14-23)29-32-21-26(22-33-29)36-30(34)27-18-17-25(20-28(27)31)35-19-11-6-4-2/h13-18,20-22H,3-12,19H2,1-2H3