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

Systemtic Name: octan-2-yl 3-[4-(5-octylpyrimidin-2-yl)phenyl]butanoate Openeye Name: 1-methylheptyl 3-[4-(5-octylpyrimidin-2-yl)phenyl]butanoate CAS Name: 3-[4-(5-octyl-2-pyrimidinyl)phenyl]butanoic acid octan-2-yl ester IUPAC Name: octan-2-yl 3-[4-(5-octylpyrimidin-2-yl)phenyl]butanoate Traditional Name: 3-[4-(5-octylpyrimidin-2-yl)phenyl]butyric acid 1-methylheptyl ester Formula: C30H46N2O2 MolecularWeight: 466.69844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(C)CC(=O)OC(C)CCCCCC

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(C)CC(=O)OC(C)CCCCCC

InChI

InChI=1S/C30H46N2O2/c1-5-7-9-11-12-14-16-26-22-31-30(32-23-26)28-19-17-27(18-20-28)24(3)21-29(33)34-25(4)15-13-10-8-6-2/h17-20,22-25H,5-16,21H2,1-4H3