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

Systemtic Name: 2-methylbutyl (E)-3-[4-(5-decylpyrimidin-2-yl)phenyl]prop-2-enoate Openeye Name: 2-methylbutyl (E)-3-[4-(5-decylpyrimidin-2-yl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(5-decyl-2-pyrimidinyl)phenyl]-2-propenoic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl (E)-3-[4-(5-decylpyrimidin-2-yl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(5-decylpyrimidin-2-yl)phenyl]acrylic acid 2-methylbutyl ester Formula: C28H40N2O2 MolecularWeight: 436.6294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C=CC(=O)OCC(C)CC

Isomeric SMILES

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)/C=C/C(=O)OCC(C)CC

InChI

InChI=1S/C28H40N2O2/c1-4-6-7-8-9-10-11-12-13-25-20-29-28(30-21-25)26-17-14-24(15-18-26)16-19-27(31)32-22-23(3)5-2/h14-21,23H,4-13,22H2,1-3H3/b19-16+