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

Systemtic Name: [4-(2-methylbutyl)phenyl] 4-(5-pentylpyrimidin-2-yl)benzoate Openeye Name: [4-(2-methylbutyl)phenyl] 4-(5-pentylpyrimidin-2-yl)benzoate CAS Name: 4-(5-pentyl-2-pyrimidinyl)benzoic acid [4-(2-methylbutyl)phenyl] ester IUPAC Name: [4-(2-methylbutyl)phenyl] 4-(5-pentylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-amylpyrimidin-2-yl)benzoic acid [4-(2-methylbutyl)phenyl] ester Formula: C27H32N2O2 MolecularWeight: 416.55518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)CC(C)CC

Isomeric SMILES

CCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)CC(C)CC

InChI

InChI=1S/C27H32N2O2/c1-4-6-7-8-22-18-28-26(29-19-22)23-11-13-24(14-12-23)27(30)31-25-15-9-21(10-16-25)17-20(3)5-2/h9-16,18-20H,4-8,17H2,1-3H3