6-methyloctyl 2-[4-(4-pentylphenyl)phenyl]pyrimidine-5-carboxylate

Systemtic Name: 6-methyloctyl 2-[4-(4-pentylphenyl)phenyl]pyrimidine-5-carboxylate Openeye Name: 6-methyloctyl 2-[4-(4-pentylphenyl)phenyl]pyrimidine-5-carboxylate CAS Name: 2-[4-(4-pentylphenyl)phenyl]-5-pyrimidinecarboxylic acid 6-methyloctyl ester IUPAC Name: 6-methyloctyl 2-[4-(4-pentylphenyl)phenyl]pyrimidine-5-carboxylate Traditional Name: 2-[4-(4-amylphenyl)phenyl]pyrimidine-5-carboxylic acid 6-methyloctyl ester Formula: C31H40N2O2 MolecularWeight: 472.6615

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)C(=O)OCCCCCC(C)CC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)C(=O)OCCCCCC(C)CC

InChI

InChI=1S/C31H40N2O2/c1-4-6-8-12-25-13-15-26(16-14-25)27-17-19-28(20-18-27)30-32-22-29(23-33-30)31(34)35-21-10-7-9-11-24(3)5-2/h13-20,22-24H,4-12,21H2,1-3H3