[4-(5-decyl-4-fluoranyl-pyrimidin-2-yl)phenyl] 5-butylthiophene-2-carboxylate

Systemtic Name: [4-(5-decyl-4-fluoranyl-pyrimidin-2-yl)phenyl] 5-butylthiophene-2-carboxylate Openeye Name: [4-(5-decyl-4-fluoro-pyrimidin-2-yl)phenyl] 5-butylthiophene-2-carboxylate CAS Name: 5-butyl-2-thiophenecarboxylic acid [4-(5-decyl-4-fluoro-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-decyl-4-fluoropyrimidin-2-yl)phenyl] 5-butylthiophene-2-carboxylate Traditional Name: 5-butylthiophene-2-carboxylic acid [4-(5-decyl-4-fluoro-pyrimidin-2-yl)phenyl] ester Formula: C29H37FN2O2S MolecularWeight: 496.679683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CN=C(N=C1F)C2=CC=C(C=C2)OC(=O)C3=CC=C(S3)CCCC

Isomeric SMILES

CCCCCCCCCCC1=CN=C(N=C1F)C2=CC=C(C=C2)OC(=O)C3=CC=C(S3)CCCC

InChI

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