[4-(5-undecylpyrimidin-2-yl)phenyl] 5-butylthiophene-2-carboxylate

Systemtic Name: [4-(5-undecylpyrimidin-2-yl)phenyl] 5-butylthiophene-2-carboxylate Openeye Name: [4-(5-undecylpyrimidin-2-yl)phenyl] 5-butylthiophene-2-carboxylate CAS Name: 5-butyl-2-thiophenecarboxylic acid [4-(5-undecyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-undecylpyrimidin-2-yl)phenyl] 5-butylthiophene-2-carboxylate Traditional Name: 5-butylthiophene-2-carboxylic acid [4-(5-undecylpyrimidin-2-yl)phenyl] ester Formula: C30H40N2O2S MolecularWeight: 492.7158

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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)CCCC

Isomeric SMILES

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

InChI

InChI=1S/C30H40N2O2S/c1-3-5-7-8-9-10-11-12-13-14-24-22-31-29(32-23-24)25-16-18-26(19-17-25)34-30(33)28-21-20-27(35-28)15-6-4-2/h16-23H,3-15H2,1-2H3