[4-(5-undecylpyrimidin-2-yl)phenyl] 4-fluoranyl-5-propyl-thiophene-2-carboxylate

Systemtic Name: [4-(5-undecylpyrimidin-2-yl)phenyl] 4-fluoranyl-5-propyl-thiophene-2-carboxylate Openeye Name: [4-(5-undecylpyrimidin-2-yl)phenyl] 4-fluoro-5-propyl-thiophene-2-carboxylate CAS Name: 4-fluoro-5-propyl-2-thiophenecarboxylic acid [4-(5-undecyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-undecylpyrimidin-2-yl)phenyl] 4-fluoro-5-propylthiophene-2-carboxylate Traditional Name: 4-fluoro-5-propyl-thiophene-2-carboxylic acid [4-(5-undecylpyrimidin-2-yl)phenyl] ester Formula: C29H37FN2O2S MolecularWeight: 496.679683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(S3)CCC)F

Isomeric SMILES

CCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(S3)CCC)F

InChI

InChI=1S/C29H37FN2O2S/c1-3-5-6-7-8-9-10-11-12-14-22-20-31-28(32-21-22)23-15-17-24(18-16-23)34-29(33)27-19-25(30)26(35-27)13-4-2/h15-21H,3-14H2,1-2H3