[2-(4-propylphenyl)pyrimidin-5-yl] 2-fluoranyl-4-heptoxy-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC(=C(C=C1)C(=O)OC2=CN=C(N=C2)C3=CC=C(C=C3)CCC)F

Isomeric SMILES

CCCCCCCOC1=CC(=C(C=C1)C(=O)OC2=CN=C(N=C2)C3=CC=C(C=C3)CCC)F

InChI

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