hexyl 3-[4-(5-nonylpyrimidin-2-yl)phenyl]butanoate

Systemtic Name: hexyl 3-[4-(5-nonylpyrimidin-2-yl)phenyl]butanoate Openeye Name: hexyl 3-[4-(5-nonylpyrimidin-2-yl)phenyl]butanoate CAS Name: 3-[4-(5-nonyl-2-pyrimidinyl)phenyl]butanoic acid hexyl ester IUPAC Name: hexyl 3-[4-(5-nonylpyrimidin-2-yl)phenyl]butanoate Traditional Name: 3-[4-(5-nonylpyrimidin-2-yl)phenyl]butyric acid hexyl ester Formula: C29H44N2O2 MolecularWeight: 452.67186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(C)CC(=O)OCCCCCC

Isomeric SMILES

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(C)CC(=O)OCCCCCC

InChI

InChI=1S/C29H44N2O2/c1-4-6-8-10-11-12-13-15-25-22-30-29(31-23-25)27-18-16-26(17-19-27)24(3)21-28(32)33-20-14-9-7-5-2/h16-19,22-24H,4-15,20-21H2,1-3H3