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

Systemtic Name: octan-2-yl (E)-3-[4-(5-heptylpyrimidin-2-yl)phenyl]prop-2-enoate Openeye Name: 1-methylheptyl (E)-3-[4-(5-heptylpyrimidin-2-yl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(5-heptyl-2-pyrimidinyl)phenyl]-2-propenoic acid octan-2-yl ester IUPAC Name: octan-2-yl (E)-3-[4-(5-heptylpyrimidin-2-yl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(5-heptylpyrimidin-2-yl)phenyl]acrylic acid 1-methylheptyl ester Formula: C28H40N2O2 MolecularWeight: 436.6294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C=CC(=O)OC(C)CCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C28H40N2O2/c1-4-6-8-10-12-14-25-21-29-28(30-22-25)26-18-15-24(16-19-26)17-20-27(31)32-23(3)13-11-9-7-5-2/h15-23H,4-14H2,1-3H3/b20-17+