[4-(5-octylpyrimidin-2-yl)phenyl] 2-fluoranyl-4-pentoxy-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=C(C=C(C=C3)OCCCCC)F

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=C(C=C(C=C3)OCCCCC)F

InChI

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