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

Systemtic Name: [3-fluoranyl-4-(5-propylpyrimidin-2-yl)phenyl] 4-decylbenzoate Openeye Name: [3-fluoro-4-(5-propylpyrimidin-2-yl)phenyl] 4-decylbenzoate CAS Name: 4-decylbenzoic acid [3-fluoro-4-(5-propyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [3-fluoro-4-(5-propylpyrimidin-2-yl)phenyl] 4-decylbenzoate Traditional Name: 4-decylbenzoic acid [3-fluoro-4-(5-propylpyrimidin-2-yl)phenyl] ester Formula: C30H37FN2O2 MolecularWeight: 476.625383

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)C3=NC=C(C=N3)CCC)F

Isomeric SMILES

CCCCCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)C3=NC=C(C=N3)CCC)F

InChI

InChI=1S/C30H37FN2O2/c1-3-5-6-7-8-9-10-11-13-23-14-16-25(17-15-23)30(34)35-26-18-19-27(28(31)20-26)29-32-21-24(12-4-2)22-33-29/h14-22H,3-13H2,1-2H3