[4-(5-propylpyrimidin-2-yl)phenyl] 2-fluoranyl-4-heptoxy-benzoate

Systemtic Name: [4-(5-propylpyrimidin-2-yl)phenyl] 2-fluoranyl-4-heptoxy-benzoate Openeye Name: [4-(5-propylpyrimidin-2-yl)phenyl] 2-fluoro-4-heptoxy-benzoate CAS Name: 2-fluoro-4-heptoxybenzoic acid [4-(5-propyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-propylpyrimidin-2-yl)phenyl] 2-fluoro-4-heptoxybenzoate Traditional Name: 2-fluoro-4-heptoxy-benzoic acid [4-(5-propylpyrimidin-2-yl)phenyl] ester Formula: C27H31FN2O3 MolecularWeight: 450.545043

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC(=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCC)F

Isomeric SMILES

CCCCCCCOC1=CC(=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCC)F

InChI

InChI=1S/C27H31FN2O3/c1-3-5-6-7-8-16-32-23-14-15-24(25(28)17-23)27(31)33-22-12-10-21(11-13-22)26-29-18-20(9-4-2)19-30-26/h10-15,17-19H,3-9,16H2,1-2H3