2-[4-(5-heptylpyrimidin-2-yl)phenyl]-4-(2-methylbutyl)benzoate

Systemtic Name: 2-[4-(5-heptylpyrimidin-2-yl)phenyl]-4-(2-methylbutyl)benzoate Openeye Name: 2-[4-(5-heptylpyrimidin-2-yl)phenyl]-4-(2-methylbutyl)benzoate CAS Name: 2-[4-(5-heptyl-2-pyrimidinyl)phenyl]-4-(2-methylbutyl)benzoate IUPAC Name: 2-[4-(5-heptylpyrimidin-2-yl)phenyl]-4-(2-methylbutyl)benzoate Traditional Name: 2-[4-(5-heptylpyrimidin-2-yl)phenyl]-4-(2-methylbutyl)benzoate Formula: C29H35N2O2- MolecularWeight: 443.6004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=C(C=CC(=C3)CC(C)CC)C(=O)[O-]

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=C(C=CC(=C3)CC(C)CC)C(=O)[O-]

InChI

InChI=1S/C29H36N2O2/c1-4-6-7-8-9-10-23-19-30-28(31-20-23)25-14-12-24(13-15-25)27-18-22(17-21(3)5-2)11-16-26(27)29(32)33/h11-16,18-21H,4-10,17H2,1-3H3,(H,32,33)/p-1