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

Systemtic Name: [4-(2-methylbutyl)phenyl] 5-hexylpyrimidine-2-carboxylate Openeye Name: [4-(2-methylbutyl)phenyl] 5-hexylpyrimidine-2-carboxylate CAS Name: 5-hexyl-2-pyrimidinecarboxylic acid [4-(2-methylbutyl)phenyl] ester IUPAC Name: [4-(2-methylbutyl)phenyl] 5-hexylpyrimidine-2-carboxylate Traditional Name: 5-hexylpyrimidine-2-carboxylic acid [4-(2-methylbutyl)phenyl] ester Formula: C22H30N2O2 MolecularWeight: 354.4858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(N=C1)C(=O)OC2=CC=C(C=C2)CC(C)CC

Isomeric SMILES

CCCCCCC1=CN=C(N=C1)C(=O)OC2=CC=C(C=C2)CC(C)CC

InChI

InChI=1S/C22H30N2O2/c1-4-6-7-8-9-19-15-23-21(24-16-19)22(25)26-20-12-10-18(11-13-20)14-17(3)5-2/h10-13,15-17H,4-9,14H2,1-3H3