octan-2-yl 3-[4-(5-hexylpyrimidin-2-yl)phenyl]butanoate

Systemtic Name: octan-2-yl 3-[4-(5-hexylpyrimidin-2-yl)phenyl]butanoate Openeye Name: 1-methylheptyl 3-[4-(5-hexylpyrimidin-2-yl)phenyl]butanoate CAS Name: 3-[4-(5-hexyl-2-pyrimidinyl)phenyl]butanoic acid octan-2-yl ester IUPAC Name: octan-2-yl 3-[4-(5-hexylpyrimidin-2-yl)phenyl]butanoate Traditional Name: 3-[4-(5-hexylpyrimidin-2-yl)phenyl]butyric acid 1-methylheptyl ester Formula: C28H42N2O2 MolecularWeight: 438.64528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(C)CC(=O)OC(C)CCCCCC

Isomeric SMILES

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(C)CC(=O)OC(C)CCCCCC

InChI

InChI=1S/C28H42N2O2/c1-5-7-9-11-13-23(4)32-27(31)19-22(3)25-15-17-26(18-16-25)28-29-20-24(21-30-28)14-12-10-8-6-2/h15-18,20-23H,5-14,19H2,1-4H3