[2-(4-undecylphenyl)-1H-pyrimidin-2-yl] 5-pentylthiophene-2-carboxylate

Systemtic Name: [2-(4-undecylphenyl)-1H-pyrimidin-2-yl] 5-pentylthiophene-2-carboxylate Openeye Name: [2-(4-undecylphenyl)-1H-pyrimidin-2-yl] 5-pentylthiophene-2-carboxylate CAS Name: 5-pentyl-2-thiophenecarboxylic acid [2-(4-undecylphenyl)-1H-pyrimidin-2-yl] ester IUPAC Name: [2-(4-undecylphenyl)-1H-pyrimidin-2-yl] 5-pentylthiophene-2-carboxylate Traditional Name: 5-amylthiophene-2-carboxylic acid [2-(4-undecylphenyl)-1H-pyrimidin-2-yl] ester Formula: C31H44N2O2S MolecularWeight: 508.75826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=CC=C(C=C1)C2(NC=CC=N2)OC(=O)C3=CC=C(S3)CCCCC

Isomeric SMILES

CCCCCCCCCCCC1=CC=C(C=C1)C2(NC=CC=N2)OC(=O)C3=CC=C(S3)CCCCC

InChI

InChI=1S/C31H44N2O2S/c1-3-5-7-8-9-10-11-12-14-16-26-18-20-27(21-19-26)31(32-24-15-25-33-31)35-30(34)29-23-22-28(36-29)17-13-6-4-2/h15,18-25,32H,3-14,16-17H2,1-2H3