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

Systemtic Name: 2-methylbutyl 4-[4-(5-pentylpyrimidin-2-yl)phenyl]benzoate Openeye Name: 2-methylbutyl 4-[4-(5-pentylpyrimidin-2-yl)phenyl]benzoate CAS Name: 4-[4-(5-pentyl-2-pyrimidinyl)phenyl]benzoic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl 4-[4-(5-pentylpyrimidin-2-yl)phenyl]benzoate Traditional Name: 4-[4-(5-amylpyrimidin-2-yl)phenyl]benzoic acid 2-methylbutyl 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)C3=CC=C(C=C3)C(=O)OCC(C)CC

Isomeric SMILES

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

InChI

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