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

Systemtic Name: octan-2-yl (E)-3-[4-(5-undecylpyrimidin-2-yl)phenyl]prop-2-enoate Openeye Name: 1-methylheptyl (E)-3-[4-(5-undecylpyrimidin-2-yl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(5-undecyl-2-pyrimidinyl)phenyl]-2-propenoic acid octan-2-yl ester IUPAC Name: octan-2-yl (E)-3-[4-(5-undecylpyrimidin-2-yl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(5-undecylpyrimidin-2-yl)phenyl]acrylic acid 1-methylheptyl ester Formula: C32H48N2O2 MolecularWeight: 492.73572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C=CC(=O)OC(C)CCCCCC

Isomeric SMILES

CCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)/C=C/C(=O)OC(C)CCCCCC

InChI

InChI=1S/C32H48N2O2/c1-4-6-8-10-11-12-13-14-16-18-29-25-33-32(34-26-29)30-22-19-28(20-23-30)21-24-31(35)36-27(3)17-15-9-7-5-2/h19-27H,4-18H2,1-3H3/b24-21+