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

Systemtic Name: 4-[4-(2-methylbutyl)phenyl]-5-nonyl-pyrimidine-2-carboxylate Openeye Name: 4-[4-(2-methylbutyl)phenyl]-5-nonyl-pyrimidine-2-carboxylate CAS Name: 4-[4-(2-methylbutyl)phenyl]-5-nonyl-2-pyrimidinecarboxylate IUPAC Name: 4-[4-(2-methylbutyl)phenyl]-5-nonylpyrimidine-2-carboxylate Traditional Name: 4-[4-(2-methylbutyl)phenyl]-5-nonyl-pyrimidine-2-carboxylate Formula: C25H35N2O2- MolecularWeight: 395.5576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(N=C1C2=CC=C(C=C2)CC(C)CC)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCC1=CN=C(N=C1C2=CC=C(C=C2)CC(C)CC)C(=O)[O-]

InChI

InChI=1S/C25H36N2O2/c1-4-6-7-8-9-10-11-12-22-18-26-24(25(28)29)27-23(22)21-15-13-20(14-16-21)17-19(3)5-2/h13-16,18-19H,4-12,17H2,1-3H3,(H,28,29)/p-1