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

Systemtic Name: 4-[4-(2-methylbutyl)phenyl]-5-propyl-pyrimidine-2-carboxylate Openeye Name: 4-[4-(2-methylbutyl)phenyl]-5-propyl-pyrimidine-2-carboxylate CAS Name: 4-[4-(2-methylbutyl)phenyl]-5-propyl-2-pyrimidinecarboxylate IUPAC Name: 4-[4-(2-methylbutyl)phenyl]-5-propylpyrimidine-2-carboxylate Traditional Name: 4-[4-(2-methylbutyl)phenyl]-5-propyl-pyrimidine-2-carboxylate Formula: C19H23N2O2- MolecularWeight: 311.39812

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN=C(N=C1C2=CC=C(C=C2)CC(C)CC)C(=O)[O-]

Isomeric SMILES

CCCC1=CN=C(N=C1C2=CC=C(C=C2)CC(C)CC)C(=O)[O-]

InChI

InChI=1S/C19H24N2O2/c1-4-6-16-12-20-18(19(22)23)21-17(16)15-9-7-14(8-10-15)11-13(3)5-2/h7-10,12-13H,4-6,11H2,1-3H3,(H,22,23)/p-1