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

Systemtic Name: 2-methylbutyl (E)-3-[4-(5-undecylpyrimidin-2-yl)phenyl]prop-2-enoate Openeye Name: 2-methylbutyl (E)-3-[4-(5-undecylpyrimidin-2-yl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(5-undecyl-2-pyrimidinyl)phenyl]-2-propenoic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl (E)-3-[4-(5-undecylpyrimidin-2-yl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(5-undecylpyrimidin-2-yl)phenyl]acrylic acid 2-methylbutyl ester Formula: C29H42N2O2 MolecularWeight: 450.65598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C=CC(=O)OCC(C)CC

Isomeric SMILES

CCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)/C=C/C(=O)OCC(C)CC

InChI

InChI=1S/C29H42N2O2/c1-4-6-7-8-9-10-11-12-13-14-26-21-30-29(31-22-26)27-18-15-25(16-19-27)17-20-28(32)33-23-24(3)5-2/h15-22,24H,4-14,23H2,1-3H3/b20-17+