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

Systemtic Name: 2-methylbutyl (E)-3-[4-(5-dodecylpyrimidin-2-yl)phenyl]prop-2-enoate Openeye Name: 2-methylbutyl (E)-3-[4-(5-dodecylpyrimidin-2-yl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(5-dodecyl-2-pyrimidinyl)phenyl]-2-propenoic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl (E)-3-[4-(5-dodecylpyrimidin-2-yl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(5-laurylpyrimidin-2-yl)phenyl]acrylic acid 2-methylbutyl ester Formula: C30H44N2O2 MolecularWeight: 464.68256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C=CC(=O)OCC(C)CC

Isomeric SMILES

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

InChI

InChI=1S/C30H44N2O2/c1-4-6-7-8-9-10-11-12-13-14-15-27-22-31-30(32-23-27)28-19-16-26(17-20-28)18-21-29(33)34-24-25(3)5-2/h16-23,25H,4-15,24H2,1-3H3/b21-18+