(4-pentylphenyl) 4-(2-butoxyphenyl)pyrimidine-5-carboxylate

Systemtic Name: (4-pentylphenyl) 4-(2-butoxyphenyl)pyrimidine-5-carboxylate Openeye Name: (4-pentylphenyl) 4-(2-butoxyphenyl)pyrimidine-5-carboxylate CAS Name: 4-(2-butoxyphenyl)-5-pyrimidinecarboxylic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 4-(2-butoxyphenyl)pyrimidine-5-carboxylate Traditional Name: 4-(2-butoxyphenyl)pyrimidine-5-carboxylic acid (4-amylphenyl) ester Formula: C26H30N2O3 MolecularWeight: 418.528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)OC(=O)C2=CN=CN=C2C3=CC=CC=C3OCCCC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)OC(=O)C2=CN=CN=C2C3=CC=CC=C3OCCCC

InChI

InChI=1S/C26H30N2O3/c1-3-5-7-10-20-13-15-21(16-14-20)31-26(29)23-18-27-19-28-25(23)22-11-8-9-12-24(22)30-17-6-4-2/h8-9,11-16,18-19H,3-7,10,17H2,1-2H3