[3-fluoranyl-4-(5-propylpyrimidin-2-yl)phenyl] 4-heptylbenzoate

Systemtic Name: [3-fluoranyl-4-(5-propylpyrimidin-2-yl)phenyl] 4-heptylbenzoate Openeye Name: [3-fluoro-4-(5-propylpyrimidin-2-yl)phenyl] 4-heptylbenzoate CAS Name: 4-heptylbenzoic acid [3-fluoro-4-(5-propyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [3-fluoro-4-(5-propylpyrimidin-2-yl)phenyl] 4-heptylbenzoate Traditional Name: 4-heptylbenzoic acid [3-fluoro-4-(5-propylpyrimidin-2-yl)phenyl] ester Formula: C27H31FN2O2 MolecularWeight: 434.545643

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)C3=NC=C(C=N3)CCC)F

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)C3=NC=C(C=N3)CCC)F

InChI

InChI=1S/C27H31FN2O2/c1-3-5-6-7-8-10-20-11-13-22(14-12-20)27(31)32-23-15-16-24(25(28)17-23)26-29-18-21(9-4-2)19-30-26/h11-19H,3-10H2,1-2H3