[4-(5-nonylpyrimidin-2-yl)phenyl] 2-fluoranyl-4-nonoxy-benzoate

Systemtic Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 2-fluoranyl-4-nonoxy-benzoate Openeye Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 2-fluoro-4-nonoxy-benzoate CAS Name: 2-fluoro-4-nonoxybenzoic acid [4-(5-nonyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 2-fluoro-4-nonoxybenzoate Traditional Name: 2-fluoro-4-nonoxy-benzoic acid [4-(5-nonylpyrimidin-2-yl)phenyl] ester Formula: C35H47FN2O3 MolecularWeight: 562.757683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=C(C=C(C=C3)OCCCCCCCCC)F

Isomeric SMILES

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=C(C=C(C=C3)OCCCCCCCCC)F

InChI

InChI=1S/C35H47FN2O3/c1-3-5-7-9-11-13-15-17-28-26-37-34(38-27-28)29-18-20-30(21-19-29)41-35(39)32-23-22-31(25-33(32)36)40-24-16-14-12-10-8-6-4-2/h18-23,25-27H,3-17,24H2,1-2H3