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

Systemtic Name: octan-2-yl (E)-3-[4-(5-octylpyrimidin-2-yl)phenyl]prop-2-enoate Openeye Name: 1-methylheptyl (E)-3-[4-(5-octylpyrimidin-2-yl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(5-octyl-2-pyrimidinyl)phenyl]-2-propenoic acid octan-2-yl ester IUPAC Name: octan-2-yl (E)-3-[4-(5-octylpyrimidin-2-yl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(5-octylpyrimidin-2-yl)phenyl]acrylic acid 1-methylheptyl ester Formula: C29H42N2O2 MolecularWeight: 450.65598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H42N2O2/c1-4-6-8-10-11-13-15-26-22-30-29(31-23-26)27-19-16-25(17-20-27)18-21-28(32)33-24(3)14-12-9-7-5-2/h16-24H,4-15H2,1-3H3/b21-18+