5-hexyl-4-[4-(2-methylbutyl)phenyl]pyrimidine-2-carboxylate

Systemtic Name: 5-hexyl-4-[4-(2-methylbutyl)phenyl]pyrimidine-2-carboxylate Openeye Name: 5-hexyl-4-[4-(2-methylbutyl)phenyl]pyrimidine-2-carboxylate CAS Name: 5-hexyl-4-[4-(2-methylbutyl)phenyl]-2-pyrimidinecarboxylate IUPAC Name: 5-hexyl-4-[4-(2-methylbutyl)phenyl]pyrimidine-2-carboxylate Traditional Name: 5-hexyl-4-[4-(2-methylbutyl)phenyl]pyrimidine-2-carboxylate Formula: C22H29N2O2- MolecularWeight: 353.47786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(N=C1C2=CC=C(C=C2)CC(C)CC)C(=O)[O-]

Isomeric SMILES

CCCCCCC1=CN=C(N=C1C2=CC=C(C=C2)CC(C)CC)C(=O)[O-]

InChI

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