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

Systemtic Name: 2-methylbutyl (E)-3-[4-(5-heptylpyrimidin-2-yl)phenyl]prop-2-enoate Openeye Name: 2-methylbutyl (E)-3-[4-(5-heptylpyrimidin-2-yl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(5-heptyl-2-pyrimidinyl)phenyl]-2-propenoic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl (E)-3-[4-(5-heptylpyrimidin-2-yl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(5-heptylpyrimidin-2-yl)phenyl]acrylic acid 2-methylbutyl ester Formula: C25H34N2O2 MolecularWeight: 394.54966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C=CC(=O)OCC(C)CC

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)/C=C/C(=O)OCC(C)CC

InChI

InChI=1S/C25H34N2O2/c1-4-6-7-8-9-10-22-17-26-25(27-18-22)23-14-11-21(12-15-23)13-16-24(28)29-19-20(3)5-2/h11-18,20H,4-10,19H2,1-3H3/b16-13+