[4-(2-methylbutyl)phenyl] 5-pentylpyrimidine-2-carboxylate

Systemtic Name: [4-(2-methylbutyl)phenyl] 5-pentylpyrimidine-2-carboxylate Openeye Name: [4-(2-methylbutyl)phenyl] 5-pentylpyrimidine-2-carboxylate CAS Name: 5-pentyl-2-pyrimidinecarboxylic acid [4-(2-methylbutyl)phenyl] ester IUPAC Name: [4-(2-methylbutyl)phenyl] 5-pentylpyrimidine-2-carboxylate Traditional Name: 5-amylpyrimidine-2-carboxylic acid [4-(2-methylbutyl)phenyl] ester Formula: C21H28N2O2 MolecularWeight: 340.45922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN=C(N=C1)C(=O)OC2=CC=C(C=C2)CC(C)CC

Isomeric SMILES

CCCCCC1=CN=C(N=C1)C(=O)OC2=CC=C(C=C2)CC(C)CC

InChI

InChI=1S/C21H28N2O2/c1-4-6-7-8-18-14-22-20(23-15-18)21(24)25-19-11-9-17(10-12-19)13-16(3)5-2/h9-12,14-16H,4-8,13H2,1-3H3