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

Systemtic Name: octan-2-yl (E)-3-[4-(5-dodecylpyrimidin-2-yl)phenyl]prop-2-enoate Openeye Name: 1-methylheptyl (E)-3-[4-(5-dodecylpyrimidin-2-yl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(5-dodecyl-2-pyrimidinyl)phenyl]-2-propenoic acid octan-2-yl ester IUPAC Name: octan-2-yl (E)-3-[4-(5-dodecylpyrimidin-2-yl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(5-laurylpyrimidin-2-yl)phenyl]acrylic acid 1-methylheptyl ester Formula: C33H50N2O2 MolecularWeight: 506.7623

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C=CC(=O)OC(C)CCCCCC

Isomeric SMILES

CCCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)/C=C/C(=O)OC(C)CCCCCC

InChI

InChI=1S/C33H50N2O2/c1-4-6-8-10-11-12-13-14-15-17-19-30-26-34-33(35-27-30)31-23-20-29(21-24-31)22-25-32(36)37-28(3)18-16-9-7-5-2/h20-28H,4-19H2,1-3H3/b25-22+