2-methylbutyl (E)-3-[4-(5-octylpyrimidin-2-yl)phenyl]prop-2-enoate

Systemtic Name: 2-methylbutyl (E)-3-[4-(5-octylpyrimidin-2-yl)phenyl]prop-2-enoate Openeye Name: 2-methylbutyl (E)-3-[4-(5-octylpyrimidin-2-yl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(5-octyl-2-pyrimidinyl)phenyl]-2-propenoic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl (E)-3-[4-(5-octylpyrimidin-2-yl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(5-octylpyrimidin-2-yl)phenyl]acrylic acid 2-methylbutyl ester Formula: C26H36N2O2 MolecularWeight: 408.57624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C=CC(=O)OCC(C)CC

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)/C=C/C(=O)OCC(C)CC

InChI

InChI=1S/C26H36N2O2/c1-4-6-7-8-9-10-11-23-18-27-26(28-19-23)24-15-12-22(13-16-24)14-17-25(29)30-20-21(3)5-2/h12-19,21H,4-11,20H2,1-3H3/b17-14+